SCHEMBL3631114

SCHEMBL3631114

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

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 16/20 0.83
MEN1 O00255 3/20 0.68
RAB9A P51151 3/20 0.68
KMT2A Q03164 3/20 0.68
NLRP3 Q96P20 1/20 0.68
NPC1 O15118 2/20 0.67
ANO2 Q9NQ90 1/20 0.67
GRIN2C Q14957 1/20 0.66

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
SCHEMBL12271278 0.95 ANO1 (0.80) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3630966 0.95 MEN1 (0.77) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3630934 0.94 MEN1 (0.78) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3630771 0.94 MEN1 (0.78) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3628382 0.94 MEN1 (0.80) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3630211 0.94 MEN1 (0.78) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL13819717 0.94 ANO1 (0.74) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3629623 0.94 MEN1 (0.80) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3628135 0.94 MEN1 (0.78) ANO1MEN1RAB9AKMT2ANLRP3
SCHEMBL3631123 0.92 ANO1 (0.75) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101854933-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2010-10-06 CN 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
CN-101854933-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2010-10-06 CN 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 114/4885MEN1 2958/4885RAB9A 1174/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885MEN1 2958/4885RAB9A 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.