SCHEMBL12830154

SCHEMBL12830154

O=C(/C=C/c1ccccc1F)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.43
▸ TRPM8 Q7Z2W7 3/20 0.43
▸ TRPM2 O94759 2/20 0.42
▸ EGFR P00533 3/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SLC12A2 P55011 1/20 0.39
▸ SLC12A5 Q9H2X9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 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
SCHEMBL12830152 0.90 TRPA1 (0.43) TRPA1TRPM8EGFRMMP1MMP2
SCHEMBL12829852 0.88 TRPA1 (0.54) TRPA1TRPM8TRPM2EGFRMMP1
SCHEMBL12830153 0.86 TRPA1 (0.56) TRPA1TRPM8TRPM2EGFRMMP1
SCHEMBL12830156 0.82 TRPM2 (0.48) TRPA1TRPM8TRPM2EGFRMMP1
SCHEMBL12319233 0.81 KMT2A (0.62) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1490642 0.79 KMT2A (0.53) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL12756716 0.79 MEN1 (0.56) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12830155 0.79 TRPA1 (0.56) TRPA1TRPM8EGFRMMP1MMP2
SCHEMBL12830157 0.77 MAPT (0.62) TRPM2EGFRMMP1MMP2MMP9
SCHEMBL12756636 0.75 MAOB (0.42) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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 TRPA1 75/4885TRPM8 59/4885TRPM2 49/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPA1 75/4885TRPM8 59/4885TRPM2 49/4885

“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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