SCHEMBL7795539

SCHEMBL7795539

CC(C(=O)O)c1cc2cc(C(=O)O)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
TBXAS1 P24557 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 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
SCHEMBL22672601 0.87 TP53 (0.47) TP53TBXAS1CA12CA1CA2
SCHEMBL1257100 0.85 TP53 (0.46) TP53TBXAS1CA12CA1CA2
SCHEMBL28138675 0.84 TP53 (0.45) TP53TBXAS1CA12CA1CA2
SCHEMBL8142145 0.83 HRH3 (0.44) TP53TBXAS1CA12CA2CA9
SCHEMBL7799415 0.82 KDM4E (0.54) CA12CA1CA2CA9KDM4E
SCHEMBL7796052 0.81 FLT3 (0.56) TP53CA2KDM4EALDH1A1HPGD
SCHEMBL14471296 0.78 ALDH1A1 (0.55) TP53CA12CA1CA9KDM4E
SCHEMBL976859 0.78 TP53 (0.43) TP53TBXAS1CA12CA1CA2
SCHEMBL566569 0.76 TP53 (0.52) TP53TBXAS1CA12CA1CA2
SCHEMBL7410565 0.74 PIM1 (0.66) TP53TBXAS1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL TP53 4779/4885TBXAS1 813/4885CA12 3785/4885

“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.