SCHEMBL3452179

SCHEMBL3452179

CC(C)c1ccc(-c2csc(N(CCC(=O)O)Cc3cccs3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.44
GIPR P48546 5/20 0.44
POLB P06746 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PPARD Q03181 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13109739 0.93 PPARD (0.43) GCGRGIPRPOLBTSHRALDH1A1
SCHEMBL3452039 0.93 MEN1 (0.43) GCGRGIPRPOLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL3452688 0.92 MEN1 (0.42) GCGRGIPRPOLBTSHRALDH1A1
SCHEMBL3453310 0.91 MEN1 (0.46) GCGRGIPRPOLBTSHRALDH1A1
SCHEMBL3452451 0.91 ALDH1A1 (0.42) GCGRGIPRPOLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL3451239 0.91 MEN1 (0.45) GCGRGIPRPOLBTSHRALDH1A1
SCHEMBL1833263 0.90 MEN1 (0.42) GCGRGIPRPOLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL3453214 0.90 ALDH1A1 (0.41) POLBTSHRALDH1A1KDM4EHPGD
SCHEMBL13109743 0.90 KDM4E (0.43) GCGRGIPRPOLBTSHRALDH1A1
SCHEMBL13109421 0.90 ALDH1A1 (0.52) POLBTSHRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 CN claimed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 WO disclosed
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 CN disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO 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 (2 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-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use MC4R, MC3R, MC5R GCGR 52/4885GIPR 6/4885POLB 4456/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R GCGR 16/4885GIPR 6/4885POLB 4418/4885

“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.