SCHEMBL4846482

SCHEMBL4846482

CC(C)(C)OC(=O)CNc1cccc(CC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 18/20 0.46
PDE5A O76074 1/20 0.44
CCNT1 O60563 1/20 0.42

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
SCHEMBL854260 0.86 CCNT1 (0.43) PTGER2CCNT1
SCHEMBL6697790 0.84 CCNT1 (0.42) PTGER2CCNT1
SCHEMBL3427899 0.82 PDE5A (0.50) PTGER2PDE5A
SCHEMBL6720555 0.82 CCNT1 (0.41) PTGER2CCNT1
SCHEMBL6178813 0.80 RAB9A (0.50) CCNT1
SCHEMBL6696521 0.76 ALDH1A1 (0.38) CCNT1
SCHEMBL6178015 0.76 CCNT1 (0.42) CCNT1
SCHEMBL27457410 0.75 PDE5A (0.49) PDE5A
SCHEMBL6175456 0.74 CCNT1 (0.40) PTGER2CCNT1
Acetic Acid SCHEMBL4671431 0.74 FABP1 (0.43) CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 CN disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 PTGER2 1094/4885PDE5A 2065/4885CCNT1 95/4885

“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.