SCHEMBL454478

SCHEMBL454478

CC(=O)OCCSSCCNC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL126769 0.86 KDM4E (0.35) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL5950971 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL17253261 0.80 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL179665 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A2CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1067135 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL18649182 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL24054682 0.76 LMNA (0.39) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL19765296 0.76 ACHE (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10272259 0.76 TSHR (0.54) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL18130385 0.76 ALDH1A1 (0.48) ALDH1A1KDM4ECHRM5CHRM1CHRM3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110282047-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2011-11-17 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
US-20110160159-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-06-30 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 (8 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 ALDH1A1 1266/4885KDM4E 2821/4885CYP1A2 2158/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 ALDH1A1 2837/4885KDM4E 3474/4885CYP1A2 4517/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ALDH1A1 2646/4885KDM4E 4388/4885CYP1A2 4468/4885
US-20120064071-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885KDM4E 2821/4885CYP1A2 2158/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ALDH1A1 2646/4885KDM4E 4388/4885CYP1A2 4468/4885
US-20110160159-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885KDM4E 2821/4885CYP1A2 2158/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC ALDH1A1 2989/4885KDM4E 4718/4885CYP1A2 3450/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP ALDH1A1 3058/4885KDM4E 4743/4885CYP1A2 2532/4885

“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.