SCHEMBL3631128

SCHEMBL3631128

COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NLRP3 Q96P20 1/20 0.61
ANO1 Q5XXA6 6/20 0.57
ANO2 Q9NQ90 1/20 0.57
HTT P42858 1/20 0.55
TP53 P04637 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
CNR2 P34972 1/20 0.52
THRB P10828 3/20 0.52

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
SCHEMBL3629109 0.89 MAPT (0.72) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL3627300 0.89 MAPT (0.72) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL3936272 0.88 MAPT (0.69) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL3629623 0.87 MEN1 (0.80) RAB9ANPC1MEN1KMT2ANLRP3
SCHEMBL3628382 0.87 MEN1 (0.80) RAB9ANPC1MEN1KMT2ANLRP3
SCHEMBL3628161 0.81 MEN1 (0.56) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL3631114 0.80 ANO1 (0.83) RAB9ANPC1MEN1KMT2ANLRP3
SCHEMBL1490650 0.80 MAPT (0.52) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL12314179 0.80 GRIN2C (0.78) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL27815387 0.79 MEN1 (0.54) MAPTRAB9ANPC1LMNAHPGD

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 MAPT 1478/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885ALDH1A1 4409/4885RAB9A 1174/4885

“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.