SCHEMBL7799385

SCHEMBL7799385

COc1ccc2c(c1)CCN(CC(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
CD274 Q9NZQ7 1/20 0.57
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
PRMT5 O14744 1/20 0.53
S1PR1 P21453 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
DRD1 P21728 2/20 0.51
DRD5 P21918 2/20 0.51
ABHD6 Q9BV23 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL14385483 0.86 HSD17B10 (0.49) ITGB3ITGA2BCD274ESR1ESR2
SCHEMBL7128888 0.84 ESR1 (0.51) CD274ESR1ESR2PRMT5HDAC1
SCHEMBL915006 0.82 DRD1 (0.59) ESR1ESR2PRMT5DRD1DRD5
SCHEMBL29651184 0.82 DRD1 (0.59) ESR1ESR2PRMT5DRD1DRD5
SCHEMBL7798191 0.82 ITGB3 (0.54) ITGB3ITGA2BCD274ESR1ESR2
SCHEMBL6806983 0.81 L3MBTL1 (0.68)
SCHEMBL6369681 0.81 HRH3 (0.61) ESR1ESR2PRMT5DRD1DRD5
Hydrochloric Acid SCHEMBL14876546 0.80 L3MBTL1 (0.66)
SCHEMBL7798156 0.80 ITGB3 (0.54) ITGB3ITGA2BCD274ESR1ESR2
SCHEMBL3428843 0.79 RYR2 (0.67)

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-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-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 106/4885CD274 1835/4885

“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.