SCHEMBL12830909

SCHEMBL12830909

O=C(O)c1c(NC(=O)C2Cc3ccccc3S2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 17/20 0.38
▸ NPY5R Q15761 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ ANO2 Q9NQ90 1/20 0.33

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
SCHEMBL12756737 0.85 NPY5R (0.48) ANO1NPY5RTP53MDM2
SCHEMBL12756755 0.84 ANO1 (0.39) ANO1ANO2
SCHEMBL12756744 0.82 P2RX7 (0.40) ANO1NPY5RTP53MDM2
SCHEMBL1908451 0.82 ANO1 (0.56) ANO1ANO2
SCHEMBL12756733 0.80 P2RX7 (0.43) ANO1NPY5RTP53MDM2
SCHEMBL12829854 0.80 GAA (0.43) ANO1NPY5RTP53MDM2
SCHEMBL12756759 0.79 NPY5R (0.41) ANO1NPY5RCNR1
SCHEMBL12756657 0.77 DEGS1 (0.44) —
SCHEMBL12756752 0.76 TAS1R3 (0.54) —
SCHEMBL12756545 0.75 ANO1 (0.49) ANO1TP53MDM2

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — 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 (1 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 ANO1 114/4885NPY5R 2598/4885TP53 2681/4885

“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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