SCHEMBL12696385

SCHEMBL12696385

NC(=O)CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.55
BMP1 P13497 2/20 0.50
ENPEP Q07075 6/20 0.44
ANPEP P15144 3/20 0.44
ACE P12821 1/20 0.43
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
BACE1 P56817 4/20 0.41
CTSD P07339 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL30390559 1.00 FOLH1 (0.55) FOLH1BMP1ENPEPANPEPACE
SCHEMBL30029087 0.97 FOLH1 (0.52) FOLH1BMP1ENPEPANPEPACE
SCHEMBL30288024 0.93 FOLH1 (0.47) FOLH1BMP1ENPEPACEPTGS1
SCHEMBL30287991 0.93 FOLH1 (0.47) FOLH1BMP1ENPEPACEPTGS1
SCHEMBL30288015 0.93 FOLH1 (0.45) FOLH1BMP1ENPEPACEPTGS1
SCHEMBL29590961 0.92 BMP1 (0.49) FOLH1BMP1ENPEPANPEPPTGS1
SCHEMBL30390004 0.90 ACE (0.46) FOLH1BMP1ENPEPACEPTGS1
SCHEMBL30288037 0.90 ACE (0.49) FOLH1BMP1ACEPTGS1GSTK1
SCHEMBL30287995 0.90 ACE (0.49) FOLH1BMP1ACEPTGS1GSTK1
SCHEMBL31410836 0.89 FOLH1 (0.49) FOLH1BMP1RIMKLANAALAD2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011816-B2 Fibronectin targeting contrast agent CASE WESTERN RESERVE UNIVERSITY (US) 2015-04-21 US disclosed
US-20120244070-A1 FIBRONECTIN TARGETING CONTRAST AGENT CASE WESTERN RESERVE UNIVERSITY 2012-09-27 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-20120244070-A1 FIBRONECTIN TARGETING CONTRAST AGENT FN1, CFD, VCAM1 FOLH1 795/4885BMP1 298/4885ENPEP 1474/4885

“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.