SCHEMBL1490475

SCHEMBL1490475

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCB1 P08183 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ABCC1 P33527 2/20 0.36
▸ PRNP P04156 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL1490427 0.93 MEN1 (0.44) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490357 0.93 MEN1 (0.44) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490424 0.93 LMNA (0.38) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490327 0.92 NPSR1 (0.42) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490533 0.92 MEN1 (0.45) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490292 0.89 POLB (0.40) TP53LMNANPSR1MAPTCYP1A2
SCHEMBL1490356 0.88 MEN1 (0.37) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL1490555 0.86 DHODH (0.48) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL1490434 0.86 POLB (0.39) TP53LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1490548 0.86 KMT2A (0.39) TP53LMNANPSR1KDM4EMEN1

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 3 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
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 TP53 2681/4885LMNA 1306/4885NPSR1 1857/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885LMNA 1306/4885NPSR1 1857/4885

“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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