SCHEMBL7128474

SCHEMBL7128474

NCCC[C@@H](NC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
ANPEP P15144 3/20 0.55
FOLH1 Q04609 1/20 0.54
ATM Q13315 1/20 0.53
TLR2 O60603 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
CPB2 Q96IY4 1/20 0.49

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
SCHEMBL11207354 0.96 ALDH1A1 (0.56) ALDH1A1ANPEPFOLH1ATMTLR2
SCHEMBL8853611 0.96 ALDH1A1 (0.56) ALDH1A1ANPEPFOLH1ATMTLR2
SCHEMBL8088658 0.85 ALDH1A1 (0.63) ALDH1A1ANPEPATM
SCHEMBL4599998 0.84 CPB2 (0.53) ALDH1A1ANPEPFOLH1ATMTLR2
SCHEMBL4600004 0.84 CPB2 (0.53) ALDH1A1ANPEPFOLH1ATMTLR2
SCHEMBL4599358 0.84 CPB2 (0.67) ALDH1A1FOLH1CPB2
SCHEMBL4599368 0.84 CPB2 (0.67) ALDH1A1FOLH1CPB2
SCHEMBL4599834 0.84 CPB2 (0.67) ALDH1A1FOLH1CPB2
SCHEMBL2722853 0.83 ALDH1A1 (0.58) ALDH1A1ANPEPFOLH1ATM
SCHEMBL13559295 0.82 NAALAD2 (0.71) ALDH1A1ANPEPFOLH1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149262-A1 Benzodiazepine vitronectin receptor antagonist pharmaceuticals CHEESMAN EDWARD H (US) 2003-08-07 US claimed
US-20030149262-A1 Benzodiazepine vitronectin receptor antagonist pharmaceuticals CHEESMAN EDWARD H (US) 2003-08-07 US disclosed
US-6548663-B1 Imaging tumors and cancer with radioisotope benzodiazepine metal complex as contrast agent BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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-20030149262-A1 Benzodiazepine vitronectin receptor antagonist pharmaceuticals ADGRF1, GPR174, NPSR1 ALDH1A1 2856/4885ANPEP 903/4885FOLH1 900/4885

“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.