SCHEMBL12756746

SCHEMBL12756746

COc1cccc2c1CC(C(=O)Nc1csc(-c3ccc(Br)cc3)c1C(=O)O)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ MTNR1A P48039 7/20 0.44
▸ MTNR1B P49286 7/20 0.44
▸ STK17B O94768 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ IDO1 P14902 6/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ DAPK2 Q9UIK4 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
SCHEMBL12756748 0.85 P2RX7 (0.41) —
SCHEMBL1896373 0.84 MEN1 (0.53) EPHX2MTNR1AMTNR1BMAPTMEN1
SCHEMBL12756734 0.80 NPY5R (0.39) MEN1KMT2A
SCHEMBL12756733 0.76 P2RX7 (0.43) —
SCHEMBL12830908 0.76 HDAC1 (0.46) STK17BDAPK3STK17ADAPK2
SCHEMBL12756740 0.74 CASP3 (0.43) STK17BMEN1TNFPRNPKMT2A
SCHEMBL12756743 0.73 HDAC1 (0.52) —
SCHEMBL346349 0.73 MTNR1A (0.64) EPHX2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL12756749 0.72 TP53 (0.56) MAPT
SCHEMBL12756731 0.72 CASP3 (0.39) STK17BMEN1KMT2A

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-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
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 EPHX2 3546/4885MTNR1A 2011/4885MTNR1B 1557/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 EPHX2 3546/4885MTNR1A 2011/4885MTNR1B 1557/4885

“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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