SCHEMBL3451680

SCHEMBL3451680

NC(=S)N[C@@H](Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
CTSL P07711 7/20 0.48
CTSB P07858 6/20 0.48
CTSV O60911 6/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 6/20 0.48
FOLH1 Q04609 1/20 0.47
GPR34 Q9UPC5 2/20 0.47
PNMT P11086 1/20 0.46
PYGL P06737 1/20 0.46
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3451686 1.00 FPR2 (0.49) FPR2CTSLCTSBCTSVCTSS
SCHEMBL12678088 0.84 MME (0.59) FPR2
SCHEMBL27477804 0.83 CTSL (0.53) FPR2CTSLCTSBCTSVCTSS
SCHEMBL29981912 0.83 FOLH1 (0.52) FPR2CTSLCTSBCTSVCTSS
SCHEMBL27552211 0.83 CTSL (0.53) FPR2CTSLCTSBCTSVCTSS
SCHEMBL4308790 0.82 CA2 (0.56) FPR2GPR34PYGLKMT2A
SCHEMBL25045736 0.82 CTSL (0.52) FPR2CTSLCTSBCTSVCTSS
SCHEMBL23279689 0.81 CTSV (0.70) CTSLCTSBCTSVCTSSCTSK
SCHEMBL20591555 0.81 CTSV (0.70) CTSLCTSBCTSVCTSSCTSK
SCHEMBL23279600 0.81 CTSL (0.70) CTSLCTSBCTSVCTSSCTSK

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 5 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 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 (1 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R FPR2 279/4885CTSL 3816/4885CTSB 2321/4885

“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.