SCHEMBL4183129

SCHEMBL4183129

CCCS(=O)(=O)Nc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
HDAC1 Q13547 7/20 0.45
TBXAS1 P24557 1/20 0.44
BCL2L1 Q07817 1/20 0.43
BRD4 O60885 2/20 0.41
PTPN5 P54829 1/20 0.41
BRAF P15056 2/20 0.41
GPR35 Q9HC97 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL6510207 0.89 HDAC1 (0.55) MEN1MAPTKMT2AAURKAKDR
SCHEMBL15697598 0.82 MEN1 (0.55) MEN1MAPTKMT2AHDAC1TBXAS1
SCHEMBL5809799 0.81 HDAC1 (0.67) MEN1MAPTKMT2AHDAC1TBXAS1
SCHEMBL15697524 0.76 PPARA (0.53) MEN1MAPTKMT2AHDAC1TBXAS1
SCHEMBL18893616 0.76 HDAC1 (0.54) MEN1MAPTKMT2AHDAC1BCL2L1
SCHEMBL15697526 0.76 MAPT (0.82) MEN1MAPTKMT2AHDAC1POLB
SCHEMBL17135415 0.74 HDAC1 (0.55) MEN1MAPTKMT2AHDAC1TBXAS1
SCHEMBL19880960 0.74 BCL2L1 (0.51) MEN1MAPTKMT2AHDAC1TBXAS1
SCHEMBL15697492 0.73 MEN1 (0.64) MEN1MAPTKMT2AHDAC1
SCHEMBL27724012 0.73 MAPT (0.67) MEN1MAPTKMT2AHDAC1PTPN5

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA MEN1 3667/4885MAPT 4208/4885KMT2A 1757/4885

“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.