SCHEMBL1490397

SCHEMBL1490397

O=C(CCc1ccc(F)cc1F)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.45
ANO2 Q9NQ90 1/20 0.45
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 3/20 0.38
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL12756638 0.90 RAB9A (0.44) ANO1ANO2POLBRAB9AHCAR2
SCHEMBL1490538 0.90 POLB (0.43) ANO1ANO2POLBRAB9AMAPT
SCHEMBL12830743 0.88 CNR1 (0.42) ANO1ANO2RAB9AMAPTSMN1; SMN2
SCHEMBL1490677 0.85 HCAR2 (0.53) ANO1ANO2POLBRAB9ASMN1; SMN2
SCHEMBL1490658 0.84 HCAR2 (0.48) ANO1ANO2POLBRAB9ASMN1; SMN2
SCHEMBL1490812 0.84 HDAC1 (0.43) ANO1ANO2POLBRAB9ASMN1; SMN2
SCHEMBL12756649 0.82 HCAR2 (0.43) ANO1RAB9ASMN1; SMN2HCAR2ALOX15
SCHEMBL1951882 0.82 ANO1 (0.65) ANO1ANO2
SCHEMBL1490370 0.82 HCAR2 (0.47) SMN1; SMN2HCAR2ALOX15MAPK1
SCHEMBL12756637 0.81 RAB9A (0.43) ANO1ANO2RAB9ASMN1; SMN2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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 (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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ANO2 98/4885POLB 4774/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ANO2 98/4885POLB 4774/4885

“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.