SCHEMBL7788367

SCHEMBL7788367

O=C(O)CN1CCc2cc(C(=O)O)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
ALDH1A1 P00352 2/20 0.51
CD274 Q9NZQ7 1/20 0.47
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
S1PR1 P21453 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
AKR1C3 P42330 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL20178641 0.85 ALDH1A1 (0.51) ITGB3ITGA2BALDH1A1POLBLTA4H
SCHEMBL7798156 0.83 ITGB3 (0.54) ITGB3ITGA2BCD274S1PR1DRD2
SCHEMBL27490478 0.83 ALDH1A1 (0.49) ITGB3ITGA2BALDH1A1CD274POLB
SCHEMBL24534090 0.82 ALDH1A1 (0.49) ITGB3ITGA2BALDH1A1POLBLTA4H
SCHEMBL3604547 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTR1ADRD2
SCHEMBL27774602 0.82 ALDH1A1 (0.49) ITGB3ITGA2BALDH1A1LTA4HMEN1
SCHEMBL3842855 0.82 CARM1 (0.53) ITGB3ITGA2BALDH1A1CD274S1PR1
SCHEMBL4239488 0.81 MEN1 (0.61) ALDH1A1POLBLTA4HMEN1KMT2A
SCHEMBL3478431 0.79 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AHTR1A
SCHEMBL7799385 0.78 ITGB3 (0.58) ITGB3ITGA2BCD274S1PR1DRD2

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 ITGB3 132/4885ITGA2B 106/4885ALDH1A1 2598/4885

“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.