SCHEMBL3629342

SCHEMBL3629342

Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)c2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.61
KMT2A Q03164 12/20 0.61
NPC1 O15118 3/20 0.61
GRIN2C Q14957 2/20 0.59
RAB9A P51151 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
PRNP P04156 1/20 0.55
ATM Q13315 1/20 0.55
ANO1 Q5XXA6 3/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRL1 P41146 1/20 0.49
NLRP3 Q96P20 1/20 0.49

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
SCHEMBL12314176 0.90 GRIN2C (0.60) MEN1KMT2ANPC1GRIN2CRAB9A
SCHEMBL3623513 0.90 MEN1 (0.50) MEN1KMT2ANPC1GRIN2CRAB9A
SCHEMBL3628324 0.89 CASP3 (0.59) MEN1KMT2ANPC1GRIN2CRAB9A
SCHEMBL3631229 0.89 ANO1 (0.65) ANO1
SCHEMBL3623526 0.87 ANO1 (0.56) MEN1KMT2ANPC1GRIN2CRAB9A
SCHEMBL3630330 0.83 ANO1 (0.54) MEN1KMT2AGRIN2CRAB9AL3MBTL1
SCHEMBL12504690 0.83 ANO1 (0.46) MEN1KMT2AGRIN2CRAB9AL3MBTL1
SCHEMBL3629105 0.82 HDAC1 (0.50) MEN1KMT2AGRIN2CRAB9AANO1
SCHEMBL1490284 0.82 HDAC1 (0.55) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1894524 0.81 MEN1 (0.61) MEN1KMT2ANPC1GRIN2CRAB9A

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.