SCHEMBL1490533

SCHEMBL1490533

COc1cc(F)c(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TNF P01375 1/20 0.45
▸ PRNP P04156 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ GPR35 Q9HC97 2/20 0.38
▸ ABCB1 P08183 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ ABCC1 P33527 2/20 0.37
▸ PTGFR P43088 1/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37

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
SCHEMBL1490475 0.92 TP53 (0.39) MEN1KMT2APRNPABCB1LMNA
SCHEMBL1490424 0.91 LMNA (0.38) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490357 0.91 MEN1 (0.44) MEN1KMT2AABCB1LMNATP53
SCHEMBL1490427 0.91 MEN1 (0.44) MEN1KMT2APRNPABCB1LMNA
SCHEMBL1490327 0.90 NPSR1 (0.42) MEN1KMT2ALMNATP53NPSR1
SCHEMBL1490423 0.89 PTGFR (0.40) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490155 0.88 MEN1 (0.45) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490292 0.85 POLB (0.40) MEN1KMT2AABCB1LMNATP53
SCHEMBL1490555 0.84 DHODH (0.48) MEN1KMT2AABCB1DHODHSMN1; SMN2
SCHEMBL1490548 0.84 KMT2A (0.39) MEN1KMT2APRNPABCB1LMNA

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 4706/4885TNF 4450/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TNF 4450/4885

“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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