SCHEMBL12756705

SCHEMBL12756705

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)/C(F)=C/c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 13/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ ANO2 Q9NQ90 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL12756706 0.89 TRPM8 (0.38) ANO1DHODHTRPM8TRPA1NPC1
SCHEMBL12829851 0.88 ANO1 (0.40) ANO1PTPN1PTPRATRPM8ANO2
SCHEMBL12829850 0.84 LMNA (0.47) EGFRMAPT
SCHEMBL1897695 0.80 ANO1 (0.58) ANO1ANO2NPC1RAB9AMAPT
SCHEMBL1897696 0.80 ANO1 (0.58) ANO1ANO2NPC1RAB9AMAPT
SCHEMBL12830151 0.80 TRPA1 (0.56) TRPA1NPC1RAB9AEGFRMMP1
SCHEMBL12756545 0.77 ANO1 (0.49) ANO1NPC1RAB9AMAPTNPSR1
SCHEMBL12756898 0.75 MEN1 (0.53) ANO1ANO2NPC1RAB9AMAPT
SCHEMBL1490373 0.75 KMT2A (0.52) ANO1DHODHNPC1RAB9AMAPT
SCHEMBL1490509 0.74 KMT2A (0.55) ANO1NPC1RAB9AMAPTNPSR1

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 5 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
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
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 114/4885PTPN1 3156/4885PTPRA 2039/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885PTPN1 3156/4885PTPRA 2039/4885

“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.

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