SCHEMBL3452789

SCHEMBL3452789

CC(C)c1ccc(-c2csc(C(NCc3ccccc3C(=O)O)c3cccs3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
TRPA1 O75762 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
STAT1 P42224 1/20 0.36
GFER P55789 1/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
EIF4E P06730 2/20 0.35
MRE11 P49959 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 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
SCHEMBL3451928 0.92 TRPA1 (0.38) DHODHTRPA1MEN1KMT2ARAB9A
SCHEMBL5161880 0.84 RAB9A (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5163151 0.84 MEP1B (0.41) TRPA1ROCK2ROCK1MRE11
Hydrochloric Acid SCHEMBL3453079 0.83 DHODH (0.38) DHODHTRPA1MEN1KMT2ARAB9A
SCHEMBL3451621 0.83 MRE11 (0.37) TRPA1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL3453449 0.80 KMT2A (0.37) DHODHMEN1KMT2ARAB9ANPC1
SCHEMBL3452514 0.79 RAB9A (0.40) TRPA1MEN1KMT2ARAB9ANPC1
SCHEMBL3452543 0.77 MRE11 (0.36) TRPA1RAB9ANPC1ROCK2ROCK1
SCHEMBL3451983 0.77 MAPT (0.37) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL3453876 0.76 TRPA1 (0.35) TRPA1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US 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 DHODH 3065/4885TRPA1 2313/4885MEN1 1990/4885

“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.