SCHEMBL3629752

SCHEMBL3629752

Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.76
KMT2A Q03164 8/20 0.76
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
GRIN2C Q14957 2/20 0.64
NLRP3 Q96P20 1/20 0.63
PRNP P04156 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ANO1 Q5XXA6 8/20 0.56
ANO2 Q9NQ90 1/20 0.56
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL4114544 0.90 CASP3 (0.85) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3629588 0.89 CASP3 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4129079 0.89 CASP3 (0.80) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3630778 0.89 ANO1 (0.71) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL723004 0.89 CASP3 (0.77) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL27815380 0.88 MEN1 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL21259152 0.87 MEN1 (0.80) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3630318 0.87 MEN1 (0.64) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3629710 0.86 MEN1 (1.00) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3629650 0.85 ANO1 (0.61) MEN1KMT2ANPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US claimed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP claimed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US claimed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO claimed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US disclosed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885

“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.