SCHEMBL14620131

SCHEMBL14620131

CCN1CC(=O)N2[C@@H](CC(=O)O)C(=O)N(C(C)c3ccc(F)cc3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 15/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ CLPP Q16740 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL10225119 0.92 CYP3A4 (0.36) CYP3A4ALDH1A1ITGB1ITGA5CLPP
SCHEMBL748754 0.91 ALDH1A1 (0.39) CYP3A4ALDH1A1ITGB1ITGA5CLPP
SCHEMBL13369155 0.91 ALDH1A1 (0.37) CYP3A4ALDH1A1CLPP
SCHEMBL13369156 0.89 CYP3A4 (0.48) CYP3A4
SCHEMBL12034932 0.89 CLPP (0.38) CYP3A4ALDH1A1CLPPTSHR
SCHEMBL746033 0.88 ALDH1A1 (0.39) CYP3A4ALDH1A1ITGB1ITGA5CLPP
SCHEMBL749196 0.88 ALDH1A1 (0.39) CYP3A4ALDH1A1ITGB1ITGA5CLPP
SCHEMBL12153821 0.88 ALDH1A1 (0.39) CYP3A4ALDH1A1ITGB1ITGA5CLPP
SCHEMBL749208 0.88 ALDH1A1 (0.39) CYP3A4ALDH1A1ITGB1ITGA5TSHR
SCHEMBL13184819 0.87 CYP3A4 (0.45) CYP3A4

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-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 — — 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-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CYP3A4 4757/4885ALDH1A1 4305/4885ITGB1 4214/4885

“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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