SCHEMBL12756667

SCHEMBL12756667

Cc1cccc(C)c1CCC(=O)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ANO1 Q5XXA6 3/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.39
▸ TRPM4 Q8TD43 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL12756668 0.89 POLB (0.42) POLBTNKS2ALDH1A1LMNAMAPT
SCHEMBL12756646 0.89 ANO1 (0.45) TNKS2SMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL12756628 0.85 HCAR2 (0.48) POLBSMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL1490241 0.84 ALOX15 (0.53) SMN1; SMN2MAPK1LMNAMAPTHPGD
SCHEMBL1490370 0.84 HCAR2 (0.47) SMN1; SMN2MAPK1HCAR2ALOX15MEN1
SCHEMBL12756626 0.84 RAB9A (0.44) POLBSMN1; SMN2MAPK1HCAR2ALOX15
SCHEMBL1490454 0.83 HCAR2 (0.50) SMN1; SMN2GAAMAPK1ALDH1A1HPGD
SCHEMBL12756649 0.83 HCAR2 (0.43) TNKS2SMN1; SMN2MAPK1ANO1HCAR2
SCHEMBL12756718 0.82 MEN1 (0.44) POLBSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12756637 0.82 RAB9A (0.43) SMN1; SMN2MAPK1ANO1HCAR2ALOX15

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 POLB 4774/4885TNKS2 1686/4885SMN1; SMN2 854/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 POLB 4774/4885TNKS2 1686/4885SMN1; SMN2 854/4885

“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.

Send feedback