SCHEMBL12830929

SCHEMBL12830929

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TMPRSS4 Q9NRS4 4/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ XPO1 O14980 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ KCNK2 O95069 1/20 0.38
▸ KCNK10 P57789 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ USP8 P40818 1/20 0.37

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
SCHEMBL12756911 0.92 MEN1 (0.37) ANO1RXFP1TMPRSS4SIRT5KCNK2
SCHEMBL12830932 0.86 ANO1 (0.43) ANO1SIRT5KCNMA1
SCHEMBL1490559 0.85 MEN1 (0.47) RXFP1XPO1TRPV1KCNK2KCNK10
SCHEMBL12830925 0.85 MEN1 (0.47) RXFP1XPO1TRPV1KCNK2KCNK10
SCHEMBL12756913 0.84 RAB9A (0.45) ANO1RXFP1
SCHEMBL1490673 0.80 ANO1 (0.45) ANO1TMPRSS4P2RX1USP2
SCHEMBL12756877 0.79 MEN1 (0.48) XPO1KCNK2KCNK10
SCHEMBL1490556 0.79 MEN1 (0.54) —
SCHEMBL1490587 0.78 ANO1 (0.44) ANO1
SCHEMBL12756905 0.78 RAB9A (0.45) ANO1RXFP1TMPRSS4KCNMA1P2RX1

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 2 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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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 (1 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 114/4885RXFP1 2109/4885TMPRSS4 2893/4885

“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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