SCHEMBL3454047

SCHEMBL3454047

CC(C)c1ccc(-c2csc(N(Cc3ccccc3C(=O)O)C3CCCC3)n2)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
DHODH Q02127 2/20 0.40
GSTO1 P78417 2/20 0.40
IDO1 P14902 1/20 0.39
USP30 Q70CQ3 1/20 0.39
UCHL1 P09936 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.39
SLC12A5 Q9H2X9 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
SCHEMBL3452512 0.99 CPB1 (0.46) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3454042 0.90 CPB1 (0.43) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3451821 0.85 ITGB3 (0.49) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL5159499 0.84 ITGB3 (0.49) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3453237 0.83 ITGB3 (0.51) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3452107 0.83 KMT2A (0.41) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL13109543 0.82 ITGB3 (0.51) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL13109550 0.82 KMT2A (0.41) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL13109555 0.82 KMT2A (0.41) CPB1MEN1KMT2AL3MBTL1ITGB3
SCHEMBL3452899 0.80 CPB1 (0.43) CPB1MEN1KMT2AL3MBTL1ITGB3

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 4 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
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 CPB1 2925/4885MEN1 1990/4885KMT2A 2090/4885

“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.