SCHEMBL3629702

SCHEMBL3629702

CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1F

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.82
MAPT P10636 2/20 0.73
PTPN1 P18031 6/20 0.73
PTPRC P08575 2/20 0.73
PTPN2 P17706 2/20 0.73
PTPA Q15257 2/20 0.73
PTPRF P10586 1/20 0.68
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NPC1 O15118 2/20 0.63
ANO1 Q5XXA6 2/20 0.60
ANO2 Q9NQ90 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL3622362 0.90 TP53 (1.00) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL21247385 0.85 TP53 (0.72) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL13837701 0.84 ANO1 (0.73) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL12314194 0.84 MEN1 (0.84) MEN1KMT2ANPC1ANO1ANO2
SCHEMBL3627300 0.84 MAPT (0.72) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL3629109 0.84 MAPT (0.72) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL13837658 0.82 PRKCZ (0.66) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL13901723 0.81 PTPN1 (0.80) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL14123489 0.80 PRKCZ (0.63) TP53MAPTPTPN1PTPRCPTPN2
SCHEMBL5919026 0.79 PRKCZ (0.62) TP53MAPTPTPN1PTPRCPTPN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US disclosed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885MAPT 1478/4885PTPN1 3156/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885MAPT 1478/4885PTPN1 3156/4885

“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.