SCHEMBL3626823

SCHEMBL3626823

O=C(Nc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 15/20 0.75
GRIN2C Q14957 3/20 0.64
MEN1 O00255 2/20 0.62
RAB9A P51151 2/20 0.62
KMT2A Q03164 2/20 0.62
NLRP3 Q96P20 1/20 0.62
NPC1 O15118 1/20 0.61
ANO2 Q9NQ90 1/20 0.61

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
SCHEMBL3631123 1.00 ANO1 (0.75) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL3631114 0.92 ANO1 (0.83) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL3622380 0.89 MEN1 (0.78) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL21259114 0.89 GRIN2C (0.70) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL28583539 0.88 GRIN2C (0.81) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL15233171 0.88 MEN1 (0.75) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL3629630 0.88 MEN1 (0.75) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL13926667 0.88 GRIN2C (0.64) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL28575946 0.88 GRIN2C (0.81) ANO1GRIN2CMEN1RAB9AKMT2A
SCHEMBL3629623 0.88 MEN1 (0.80) ANO1MEN1RAB9AKMT2ANLRP3

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 ANO1 114/4885GRIN2C 707/4885MEN1 2958/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885GRIN2C 707/4885MEN1 2958/4885

“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.