SCHEMBL3834577

SCHEMBL3834577

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
MME P08473 3/20 0.36
FPR2 P25090 2/20 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
SCHEMBL7412293 1.00 MEN1 (0.38) MEN1KMT2ANPC1RAB9AITGB1
SCHEMBL3835250 1.00 MEN1 (0.38) MEN1KMT2ANPC1RAB9AITGB1
SCHEMBL4600067 0.92 CTRB1 (0.40) NPC1RAB9AITGB1ITGA4PPARG
SCHEMBL5407004 0.92 CTRB1 (0.40) NPC1RAB9AITGB1ITGA4PPARG
SCHEMBL4600752 0.92 CTRB1 (0.40) NPC1RAB9AITGB1ITGA4PPARG
SCHEMBL30510366 0.92 CTRB1 (0.40) NPC1RAB9AITGB1ITGA4PPARG
SCHEMBL25177964 0.90 ATM (0.39) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL30767800 0.90 ATM (0.39) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL5403825 0.90 ITGA4 (0.42) ITGB1ITGA4ITGB7PPARGPPARA
SCHEMBL7105951 0.89 NPC1 (0.38) NPC1RAB9AITGB1ITGA4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
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
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP 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
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 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 (3 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 MEN1 2380/4885KMT2A 2495/4885NPC1 2378/4885
US-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 MEN1 2199/4885KMT2A 3929/4885NPC1 3654/4885
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 MEN1 2649/4885KMT2A 2324/4885NPC1 2358/4885

“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.