SCHEMBL12756706

SCHEMBL12756706

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ TRPA1 O75762 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SLC12A2 P55011 1/20 0.34
▸ SLC12A5 Q9H2X9 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ HDAC2 Q92769 1/20 0.33
▸ ALAD P13716 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL12756705 0.89 ANO1 (0.38) TRPM8DHODHTRPA1NPC1RAB9A
SCHEMBL1906901 0.80 KMT2A (0.54) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL1906900 0.80 KMT2A (0.54) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL12830153 0.80 TRPA1 (0.56) TRPM8TRPA1NPC1RAB9AKMT2A
SCHEMBL12829851 0.78 ANO1 (0.40) TRPM8TRPA1KMT2AMEN1ANO1
SCHEMBL12756880 0.77 HDAC2 (0.55) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL1490642 0.75 KMT2A (0.53) NPC1RAB9AKMT2AMEN1ANO1
SCHEMBL1490556 0.74 MEN1 (0.54) DHODHNPC1RAB9AKMT2AMEN1
SCHEMBL12830156 0.74 TRPM2 (0.48) TRPM8TRPA1NPC1RAB9AKMT2A
SCHEMBL12830154 0.73 TRPA1 (0.43) TRPM8TRPA1NPC1RAB9AKMT2A

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 TRPM8 59/4885DHODH 2153/4885TRPA1 75/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPM8 59/4885DHODH 2153/4885TRPA1 75/4885

“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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