SCHEMBL179684

SCHEMBL179684

NCCC(=O)OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.52
TSHR P16473 2/20 0.42
CTH P32929 1/20 0.42
CBS P35520 1/20 0.42
THPO P40225 1/20 0.42
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
THRB P10828 3/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GABRR1 P24046 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40
GABBR2 O75899 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL94604 0.84 PAM (0.60) PAMTSHRCTHCBSTHPO
SCHEMBL28150730 0.82 PAM (0.66) PAMTSHRCTHCBSTHPO
SCHEMBL11763865 0.81 PAM (0.58) PAMTSHRCTHCBSTHPO
Ethylamine SCHEMBL11742134 0.79 PAM (0.57) PAMTSHRCTHCBSTHPO
SCHEMBL15561422 0.79 GABRR1 (0.56) PAMTSHRCTHCBSTHPO
SCHEMBL1845834 0.79 PAM (0.75) PAMTSHRCTHCBSTHPO
SCHEMBL530330 0.79 PAM (0.56) PAMTSHRCTHCBSTHPO
SCHEMBL497945 0.79
SCHEMBL24984016 0.79 PAM (0.47) PAMTSHRCTHCBSTHPO
SCHEMBL17550119 0.78 CYP1A2 (0.45) PAMTSHRCYP1A2LMNATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20140328919-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140286873-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-09-25 US disclosed
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2014-09-18 US disclosed
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use CERULEAN PHARMA INC. (US) 2014-07-10 US disclosed
US-20130202659-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2013-08-08 US disclosed
WO-2013115965-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2013-08-08 WO disclosed
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20120282306-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2012-11-08 US disclosed
US-20110268658-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-11-03 US disclosed
US-20110262490-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-10-27 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 US disclosed
US-20110237686-A1 FORMULATIONS AND METHODS OF USE CERULEAN PHARMA INC (US) 2011-09-29 US disclosed
US-20110189092-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-08-04 US disclosed
WO-2011063421-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-05-26 WO disclosed
WO-2010117668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-14 WO disclosed
WO-2010114770-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-07 WO disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130202659-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 PAM 2818/4885TSHR 4340/4885CTH 1901/4885
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 PAM 2818/4885TSHR 4340/4885CTH 1901/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 PAM 2818/4885TSHR 4340/4885CTH 1901/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 PAM 2818/4885TSHR 4340/4885CTH 1901/4885
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20110268658-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20140286873-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20110262490-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP PAM 2884/4885TSHR 3573/4885CTH 415/4885
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20140328919-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20120282306-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20110237686-A1 FORMULATIONS AND METHODS OF USE LPXN, LIPA, CHMP4B PAM 1673/4885TSHR 3311/4885CTH 2473/4885
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885
US-20110189092-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 PAM 186/4885TSHR 3588/4885CTH 3269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.