SCHEMBL12830156

SCHEMBL12830156

O=C(/C=C/c1cccc(F)c1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 2/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MMP1 P03956 5/20 0.46
▸ MMP2 P08253 5/20 0.46
▸ MMP9 P14780 5/20 0.46
▸ EGFR P00533 3/20 0.45
▸ TRPA1 O75762 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SLC12A2 P55011 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
SCHEMBL12830158 0.90 GAA (0.49) TRPM2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL12830153 0.88 TRPA1 (0.56) TRPM2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL12319219 0.82 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL12830154 0.82 TRPA1 (0.43) TRPM2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL12830157 0.80 MAPT (0.62) TRPM2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL1490367 0.80 MEN1 (0.50) NPC1RAB9AKDM4ELMNAKMT2A
SCHEMBL12829853 0.79 GRIK1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL12830151 0.78 TRPA1 (0.56) TRPM2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL12756716 0.78 MEN1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL12829852 0.78 TRPA1 (0.54) TRPM2NPC1RAB9ASMN1; SMN2MMP1

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 3 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
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 TRPM2 49/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPM2 49/4885NPC1 262/4885RAB9A 1174/4885

“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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