SCHEMBL2181986

SCHEMBL2181986

Cc1nnsc1C(=O)Nc1scc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 17/20 0.52
POLB P06746 1/20 0.42
ANO2 Q9NQ90 1/20 0.42

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
SCHEMBL12414156 0.87 ANO1 (0.55) ANO1ANO2
SCHEMBL1953387 0.86 ANO1 (0.68) ANO1ANO2
SCHEMBL15480691 0.84 POLB (0.47) ANO1POLB
SCHEMBL2179169 0.81 ANO1 (0.52) ANO1ANO2
SCHEMBL2179457 0.81 ANO1 (0.59) ANO1ANO2
SCHEMBL12414126 0.81 CASP3 (0.59) ANO1ANO2
SCHEMBL2180097 0.80 ANO1 (0.53) ANO1ANO2
SCHEMBL2182048 0.80 ANO1 (0.74) ANO1ANO2
SCHEMBL2180572 0.79 ANO1 (0.58) ANO1ANO2
SCHEMBL12414150 0.79 ANO1 (0.75) ANO1ANO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US 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 (3 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885POLB 4774/4885ANO2 98/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885POLB 4774/4885ANO2 98/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885POLB 4774/4885ANO2 98/4885

“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.