SCHEMBL5878233

SCHEMBL5878233

O=C(O)C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(CNCc3nc4ccccc4[nH]3)c2)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 1.00
ITGAV P06756 16/20 1.00
EEF2K O00418 3/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5878472 0.94 ITGB3 (0.89) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5878743 0.78 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5208001 0.74 ITGB3 (0.58) ITGB3ITGAVALDH1A1
SCHEMBL5336087 0.73 ITGB3 (0.60) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5336078 0.73 ITGB3 (0.89) ITGB3ITGAV
SCHEMBL5878278 0.73 ITGB3 (0.57) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5878266 0.73 ITGB3 (0.57) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5340108 0.73 ITGB3 (0.59) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5340097 0.73 ITGB3 (0.88) ITGB3ITGAV
SCHEMBL7408745 0.72 ITGB3 (0.67) ITGB3ITGAVEEF2KALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094911-B2 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-22 US disclosed
EP-1140809-B1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
US-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 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 (2 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-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB2, ITGB1, ITGB3 ITGB3 3/4885ITGAV 13/4885EEF2K 4245/4885
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 ITGB3 3/4885ITGAV 13/4885EEF2K 4218/4885

“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.