SCHEMBL1490587

SCHEMBL1490587

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc(F)c(F)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 8/20 0.44
▸ ACLY P53396 3/20 0.39
▸ TP53 P04637 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ ANO2 Q9NQ90 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12756912 0.89 NPC1 (0.39) ANO1ACLYTP53DHODHKMT2A
SCHEMBL1490642 0.83 KMT2A (0.53) ANO1TP53KMT2AMEN1NPC1
SCHEMBL12830932 0.83 ANO1 (0.43) ANO1DHODHANO2KMT2AMEN1
SCHEMBL1490673 0.80 ANO1 (0.45) ANO1ACLYDHODHANO2KMT2A
SCHEMBL1490562 0.80 MEN1 (0.44) ANO1DHODHKMT2AMEN1NPC1
SCHEMBL1490517 0.80 ANO1 (0.47) ANO1ANO2KMT2ANPC1RAB9A
SCHEMBL12831284 0.79 ANO1 (0.56) ANO1NPC1RAB9ASMN1; SMN2
SCHEMBL1490643 0.79 MEN1 (0.38) ANO1ACLYANO2KMT2AMEN1
SCHEMBL1490556 0.79 MEN1 (0.54) TP53DHODHKMT2AMEN1NPC1
SCHEMBL1490410 0.79 MEN1 (0.44) ANO1TP53DHODHKMT2AMEN1

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 8 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
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 — — US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 — — EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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 ANO1 114/4885ACLY 3891/4885TP53 2681/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885ACLY 3891/4885TP53 2681/4885

“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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