SCHEMBL1490410

SCHEMBL1490410

COc1c(F)cc(C(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TNF P01375 1/20 0.44
▸ PRNP P04156 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ ANO1 Q5XXA6 2/20 0.41
▸ DHODH Q02127 3/20 0.40
▸ PTGFR P43088 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ABCB1 P08183 4/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL1490300 0.92 MEN1 (0.44) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490494 0.92 MEN1 (0.40) MEN1KMT2APRNPANO1DHODH
SCHEMBL1490476 0.91 PTPN1 (0.43) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490379 0.91 MEN1 (0.48) MEN1KMT2AANO1DHODHNPC1
SCHEMBL1490474 0.91 MEN1 (0.43) MEN1KMT2APRNPANO1DHODH
SCHEMBL1490413 0.90 ANO1 (0.46) MEN1KMT2AANO1NPC1NPSR1
SCHEMBL1490385 0.90 PTGFR (0.41) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490155 0.89 MEN1 (0.45) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1490193 0.85 DHODH (0.41) MEN1KMT2AANO1DHODHNPC1
SCHEMBL1490635 0.85 MEN1 (0.43) MEN1KMT2APRNPDHODHNPC1

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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