SCHEMBL1490658

SCHEMBL1490658

O=C(CCc1cccc(F)c1)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 0.40
ANO1 Q5XXA6 4/20 0.40
ANO2 Q9NQ90 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL1490454 0.91 HCAR2 (0.50) HCAR2RAB9ACNR1ALOX15MAPK1
SCHEMBL12831275 0.90 CNR1 (0.43) HCAR2CNR1HDAC1HDAC6ANO1
SCHEMBL1490660 0.90 HCAR2 (0.48) HCAR2RAB9APOLBHDAC1HDAC6
SCHEMBL15480664 0.89 HCAR2 (0.45) HCAR2RAB9APOLBALOX15MAPK1
SCHEMBL1490241 0.88 ALOX15 (0.53) HCAR2RAB9AALOX15MAPK1SMN1; SMN2
SCHEMBL12756628 0.88 HCAR2 (0.48) HCAR2RAB9APOLBCNR1ALOX15
SCHEMBL1490812 0.88 HDAC1 (0.43) HCAR2RAB9APOLBALOX15MAPK1
SCHEMBL1490677 0.88 HCAR2 (0.53) HCAR2RAB9APOLBCNR1ALOX15
SCHEMBL12830431 0.87 CNR1 (0.47) HCAR2POLBCNR1ALOX15MAPK1
SCHEMBL15480674 0.86 CNR1 (0.40) HCAR2RAB9APOLBCNR1ALOX15

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 HCAR2 343/4885RAB9A 1174/4885POLB 4774/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HCAR2 343/4885RAB9A 1174/4885POLB 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.