SCHEMBL451967

SCHEMBL451967

CNCCSSCCNC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 3/20 0.39
LMNA P02545 1/20 0.38
ADRA1A P35348 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
F13A1 P00488 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL14878512 0.94 TSHR (0.54) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL917149 0.91 TSHR (0.71) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL14754950 0.82 TSHR (0.60) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL18062304 0.82 TSHR (0.60) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL13302779 0.80 TSHR (0.58) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL636411 0.80 TSHR (0.58) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL10025171 0.79 LMNA (0.69) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL10025168 0.79 TSHR (0.52) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL12107779 0.79
SCHEMBL15145438 0.78 EPHX1 (0.44) TSHRALDH1A1MTNR1AMTNR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018102769-A1 TREATMENT OF CANCER BLUELINK PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
US-20170362346-A1 METHODS AND SYSTEMS FOR POLYMER PRECIPITATION AND GENERATION OF PARTICLES CERULEAN PHARMA INC (US) 2017-12-21 US disclosed
US-9610360-B2 Polymer drug conjugates with tether groups for controlled drug delivery CERULIEAN PHARMA INC. (US) 2017-04-04 US disclosed
US-9598503-B2 Methods and systems for polymer precipitation and generation of particles CERULEAN PHARMA INC. (US) 2017-03-21 US disclosed
US-9476045-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20160166567-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2016-06-16 US disclosed
US-20160101185-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2016-04-14 US disclosed
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20160058873-A1 Cyclodextrin-Based Polymers for Therapeutic Delivery CERULEAN PHARMA INC (US) 2016-03-03 US disclosed
US-20160058875-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-8497365-B2 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. 2013-07-30 US disclosed
US-20130164282-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2013-06-27 US disclosed
US-8426377-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-04-18 US disclosed
US-20120302505-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-11-29 US disclosed
US-20120114658-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2012-05-10 US disclosed
US-20120064071-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 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 (12 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-20120114658-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 TSHR 4340/4885ALDH1A1 3011/4885KDM4E 4601/4885
US-20160058873-A1 Cyclodextrin-Based Polymers for Therapeutic Delivery IAPP, PRCP, DDOST TSHR 2290/4885ALDH1A1 4479/4885KDM4E 4848/4885
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A TSHR 3166/4885ALDH1A1 2326/4885KDM4E 4213/4885
US-20160101185-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20130164282-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20120302505-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY IAPP, PRCP, DDOST TSHR 2290/4885ALDH1A1 4479/4885KDM4E 4848/4885
US-20160166567-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 TSHR 3297/4885ALDH1A1 2837/4885KDM4E 3474/4885
US-20120064071-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS DCLRE1A, PARP1, LIG1 TSHR 3048/4885ALDH1A1 1003/4885KDM4E 3894/4885
US-20160058875-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885

“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.