SCHEMBL12830157

SCHEMBL12830157

O=C(/C=C/c1ccccc1)Nc1csc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ SLC12A2 P55011 1/20 0.62
▸ SLC12A5 Q9H2X9 1/20 0.62
▸ TRPM2 O94759 2/20 0.53
▸ LTB4R Q15722 2/20 0.53
▸ PARP1 P09874 1/20 0.53
▸ MMP1 P03956 6/20 0.52
▸ MMP2 P08253 6/20 0.52
▸ MMP9 P14780 6/20 0.52
▸ EGFR P00533 8/20 0.51
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.47

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
SCHEMBL12830153 0.92 TRPA1 (0.56) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830151 0.92 TRPA1 (0.56) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830156 0.80 TRPM2 (0.48) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830158 0.80 GAA (0.49) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830155 0.79 TRPA1 (0.56) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12829852 0.77 TRPA1 (0.54) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830154 0.77 TRPA1 (0.43) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12830152 0.77 TRPA1 (0.43) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12319232 0.76 KMT2A (1.00) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL12756723 0.75 MEN1 (0.59) MAPTSMN1; SMN2KMT2ALMNANPC1

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 MAPT 1478/4885SMN1; SMN2 854/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885SMN1; SMN2 854/4885KMT2A 4706/4885

“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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