SCHEMBL17032187

SCHEMBL17032187

CC(C)(C)CC1CCN(CC(F)(F)F)C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.37
▸ PER2 O15055 8/20 0.34
▸ PIK3CD O00329 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL15468337 0.83 PER2 (0.40) ACEPER2PIK3CDDPP4DPP8
SCHEMBL25543646 0.76 CYP1A2 (0.33) ACE
SCHEMBL15199072 0.76 PER2 (0.35) PER2PIK3CDDPP4DPP8DPP7
SCHEMBL7621338 0.75 ACE (0.32) ACEPER2PIK3CDDPP4DPP8
SCHEMBL12306282 0.75 PIK3CD (0.55) PER2PIK3CDDPP4DPP8DPP7
SCHEMBL19198697 0.75 PIK3CD (0.55) PER2PIK3CDDPP4DPP8DPP7
SCHEMBL24449470 0.73 ACE (0.32) ACE
SCHEMBL12778772 0.73 ACE (0.32) ACE
SCHEMBL25541942 0.72 PER2 (0.41) PER2PIK3CDDPP4DPP8DPP7
SCHEMBL28489524 0.72 ACE (0.40) ACEPER2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — 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-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE ACE 140/4885PER2 4658/4885PIK3CD 1489/4885

“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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