SCHEMBL25858562

SCHEMBL25858562

CC[C@H](C)[C@@H]([C@@H](CC(=O)NCCCCC[C@@H](C)C(N)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
NPBWR1 P48145 7/20 0.41
FOLH1 Q04609 2/20 0.41
KISS1R Q969F8 5/20 0.39
SSTR2 P30874 1/20 0.39
FAP Q12884 1/20 0.39
TTR P02766 2/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL25857993 0.87 CYP3A4 (0.42) CYP3A4FOLH1FAPTTR
SCHEMBL22198583 0.83 CYP3A4 (0.52) CYP3A4FOLH1KISS1RSSTR2FAP
SCHEMBL25859965 0.83 CYP3A4 (0.52) CYP3A4FOLH1KISS1RSSTR2FAP
SCHEMBL25854069 0.83 CYP3A4 (0.57) CYP3A4FOLH1KISS1RSSTR2FAP
SCHEMBL20382894 0.83 CYP3A4 (0.57) CYP3A4FOLH1KISS1RSSTR2FAP
SCHEMBL26223056 0.81 CYP3A4 (0.38) CYP3A4FOLH1FAPCTSBCTSK
SCHEMBL25859949 0.81 CYP3A4 (0.55) CYP3A4FOLH1KISS1RSSTR2FAP
SCHEMBL19869062 0.80 FOLH1 (0.40) CYP3A4FOLH1KISS1RFAPTTR
SCHEMBL20095233 0.80 FOLH1 (0.40) CYP3A4FOLH1KISS1RFAPTTR
SCHEMBL25833839 0.79 CYP3A4 (0.41) CYP3A4FOLH1KISS1RFAPTTR

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-11696956-B2 Bicyclic peptide ligands specific for EphA2 BICYCLETX LIMITED (GB) 2023-07-11 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-11696956-B2 Bicyclic peptide ligands specific for EphA2 EPHA2, EPHB2, ERBB2 CYP3A4 4184/4885NPBWR1 503/4885FOLH1 341/4885

“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.