SCHEMBL1490580

SCHEMBL1490580

Cc1ccc(-c2scc(NC(=O)c3cc(Cl)ccc3O)c2C(=O)O)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 7/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
TMPRSS4 Q9NRS4 6/20 0.45
P2RX1 P51575 6/20 0.44
P2RX4 Q99571 3/20 0.44
P2RX7 Q99572 3/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ANO1 Q5XXA6 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
SCHEMBL1490398 0.93 NPC1 (0.42) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL1490543 0.91 TAS1R3 (0.42) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL12756907 0.91 LMNA (0.42) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL1490251 0.90 KCNMA1 (0.46) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL12830928 0.88 KMT2A (0.38) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL12756908 0.87 MEN1 (0.37) KCNMA1TAS1R3TAS1R1TAS1R2TMPRSS4
SCHEMBL12756865 0.85 POLB (0.49) KDM4ENPC1LMNAPOLBMAPT
SCHEMBL12756910 0.85 RAB9A (0.42) KCNMA1NPC1LMNARAB9ANPSR1
SCHEMBL1490643 0.84 MEN1 (0.38) NPC1LMNAMAPTHTTRAB9A
SCHEMBL15480682 0.83 GAA (0.38) KDM4ENPC1LMNAPOLBMAPT

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 KCNMA1 91/4885TAS1R3 3820/4885TAS1R1 3836/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KCNMA1 91/4885TAS1R3 3820/4885TAS1R1 3836/4885

“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.