SCHEMBL16543129

SCHEMBL16543129

CC(C)(C)S(=O)(=O)NC1CCC[C@H](c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.39
▸ GRIA4 P48058 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL16543128 1.00 CYP2D6 (0.39) CYP2D6GRIA4ALDH1A1LMNAFFAR4
SCHEMBL16543127 1.00 CYP2D6 (0.39) CYP2D6GRIA4ALDH1A1LMNAFFAR4
SCHEMBL24700592 0.75 KDM1A (0.47) CYP2D6
SCHEMBL19700360 0.74 CA12 (0.46) ALDH1A1LMNA
SCHEMBL6345288 0.72 KDM1A (0.44) FFAR4TRPV1
SCHEMBL16535805 0.71 SLC6A2 (0.40) CYP2D6LMNA
SCHEMBL16535272 0.71 SLC6A2 (0.40) CYP2D6LMNA
SCHEMBL21232399 0.71 BTK (0.60) CYP2D6ALDH1A1FFAR4TRPV1
SCHEMBL21232478 0.71 BTK (0.60) CYP2D6ALDH1A1FFAR4TRPV1
SCHEMBL21221593 0.71 TRPV1 (0.52) CYP2D6FFAR4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 — — US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 — — 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 (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-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP CYP2D6 1509/4885GRIA4 3684/4885ALDH1A1 410/4885

“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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