SCHEMBL7031372

SCHEMBL7031372

CCCCNC(=O)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.39
ITGA5 P08648 5/20 0.39
ITGB3 P05106 3/20 0.39
ITGAV P06756 2/20 0.39
FOLH1 Q04609 4/20 0.38
ITGA2B P08514 1/20 0.37
ITGA4 P13612 2/20 0.37
TSHR P16473 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL7383429 0.97 FOLH1 (0.39) ITGB1ITGA5ITGB3ITGAVFOLH1
SCHEMBL7036484 0.97 CPT2 (0.40) ITGB1ITGA5ITGB3ITGAVFOLH1
SCHEMBL7032608 0.90 ITGB3 (0.42) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7035393 0.88 KMT2A (0.45) ITGB1ITGA5ITGB3ITGAVTSHR
SCHEMBL7032219 0.88 ITGB3 (0.40) ITGB1ITGB3ITGAVITGA2BITGA4
SCHEMBL7038261 0.88 ITGB3 (0.40) ITGB1ITGB3ITGAVITGA2BITGA4
SCHEMBL7038923 0.87 ITGB3 (0.40) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7033711 0.87 ITGB3 (0.38) ITGB1ITGA5ITGB3ITGAVFOLH1
SCHEMBL7034074 0.87 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGAV
SCHEMBL7036629 0.87 EGLN2 (0.39) ITGB1ITGA5ITGB3ITGAVITGA2B

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US disclosed
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 WO 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR ITGB1 306/4885ITGA5 450/4885ITGB3 403/4885

“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.