SCHEMBL3452383

SCHEMBL3452383

C[C@H]1CC[C@H](Oc2ccc(-c3csc(N(CCC(=O)O)Cc4cccs4)n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
MAPT P10636 4/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GCGR P47871 3/20 0.40
GIPR P48546 3/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL3452380 1.00 PPARD (0.44) PPARDMAPTTSHRALDH1A1NPSR1
SCHEMBL1841298 0.92 ALDH1A1 (0.40) PPARDMAPTTSHRALDH1A1NPSR1
SCHEMBL1841297 0.92 ALDH1A1 (0.40) PPARDMAPTTSHRALDH1A1NPSR1
SCHEMBL13109575 0.86 TRPM8 (0.45) MAPTTSHRALDH1A1NPSR1GCGR
SCHEMBL3452670 0.85 TRPM8 (0.44) MAPTTSHRALDH1A1NPSR1GCGR
SCHEMBL13109551 0.85 MAPT (0.39) MAPTTSHRALDH1A1NPSR1RAB9A
SCHEMBL13109458 0.85 PPARD (0.50) PPARDMAPTTSHRALDH1A1NPSR1
SCHEMBL15740804 0.85 NPC1 (0.43) MAPTALDH1A1NPSR1GCGRGIPR
SCHEMBL15740801 0.85 NPC1 (0.43) MAPTALDH1A1NPSR1GCGRGIPR
SCHEMBL15740816 0.85 NPC1 (0.43) MAPTALDH1A1NPSR1GCGRGIPR

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 8 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
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-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
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 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 PPARD 181/4885MAPT 335/4885TSHR 85/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R PPARD 361/4885MAPT 3732/4885TSHR 90/4885

“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.