SCHEMBL1490418

SCHEMBL1490418

COc1ccc(-c2scc(NC(=O)c3cc(F)c(F)c(OC)c3F)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ABCB1 P08183 1/20 0.43
▸ DHODH Q02127 4/20 0.43
▸ ANO1 Q5XXA6 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPR35 Q9HC97 2/20 0.36

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
SCHEMBL1490303 0.93 MEN1 (0.40) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490329 0.92 PTPN1 (0.43) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490446 0.92 MEN1 (0.43) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490379 0.92 MEN1 (0.48) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490300 0.91 MEN1 (0.44) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490569 0.91 ANO1 (0.46) MEN1KMT2ANPC1ANO1PTPN1
SCHEMBL1490444 0.89 DHODH (0.52) MEN1KMT2ANPC1DHODHPTPN1
SCHEMBL1490463 0.86 DHODH (0.41) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490447 0.85 MEN1 (0.43) MEN1KMT2ANPC1ABCB1DHODH
SCHEMBL1490214 0.85 DHODH (0.41) MEN1KMT2ANPC1ABCB1DHODH

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-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
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 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885

“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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