SCHEMBL7795525

SCHEMBL7795525

CCOC(=O)CCNC(=O)c1ccc(I)cc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 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
SCHEMBL7334498 0.90 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL7796011 0.83 ROCK2 (0.43) ALDH1A1SMN1; SMN2ESRRBESRRGMAPK1
SCHEMBL7323307 0.81 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL7330092 0.80 BACE1 (0.41) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL8879612 0.78 MAPT (0.55) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL8349689 0.78 NPC1 (0.52) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL8921986 0.77 MAPT (0.41) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL10062647 0.77 MEN1 (0.47) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL22447642 0.77 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL7322396 0.76 ALDH1A1 (0.45) MAPTALDH1A1MAPK1HSD17B10TOP2A

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 11 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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-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 CYP1A2 2358/4885CYP3A4 3599/4885CYP2C19 2107/4885

“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.