SCHEMBL7036484

SCHEMBL7036484

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
NAAA Q02083 2/20 0.39
FOLH1 Q04609 7/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ITGB1 P05556 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 2/20 0.38
KLKB1 P03952 1/20 0.37
APP P05067 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
SCHEMBL7383429 0.99 FOLH1 (0.39) CPT2CPT1ACPT1BNAAAFOLH1
SCHEMBL7031372 0.97 ITGB1 (0.39) CPT2CPT1ACPT1BFOLH1ITGB1
SCHEMBL7032219 0.89 ITGB3 (0.40) ITGB1ITGB3ITGAVITGA4
SCHEMBL7038261 0.89 ITGB3 (0.40) ITGB1ITGB3ITGAVITGA4
SCHEMBL7032608 0.88 ITGB3 (0.42) ITGB1ITGB3ITGAVITGA5
SCHEMBL7035393 0.87 KMT2A (0.45) HDAC3HDAC1HDAC2ITGB1ITGB3
SCHEMBL7035994 0.86 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL7033749 0.86 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL7038923 0.86 ITGB3 (0.40) ITGB1ITGB3ITGAVITGA5
SCHEMBL7033711 0.86 ITGB3 (0.38) FOLH1ITGB1ITGB3ITGAVITGA5

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR CPT2 2097/4885CPT1A 1283/4885CPT1B 596/4885

“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.