SCHEMBL3453237

SCHEMBL3453237

CC(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)O)cc3)C3CCCC3)n2)cc1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
CPB1 P15086 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GCGR P47871 2/20 0.42
GIPR P48546 2/20 0.42
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
AVPR1B P47901 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13109543 0.99 ITGB3 (0.51) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3451821 0.90 ITGB3 (0.49) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3453232 0.90 ITGB3 (0.48) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL5159499 0.89 ITGB3 (0.49) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3454047 0.83 CPB1 (0.46) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3451457 0.82 ITGB3 (0.47) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3452512 0.82 CPB1 (0.46) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3451819 0.82 ITGB3 (0.46) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL27681519 0.82 ITGB3 (0.53) ITGB3ITGA2BCPB1MEN1KMT2A
SCHEMBL3452899 0.81 CPB1 (0.43) ITGB3ITGA2BCPB1MEN1KMT2A

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 2 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
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US 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 ITGB3 1281/4885ITGA2B 1854/4885CPB1 2925/4885

“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.