SCHEMBL3005035

SCHEMBL3005035

Cc1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)nn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ACE P12821 1/20 0.41
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
MAPK1 P28482 1/20 0.36
PPARA Q07869 6/20 0.36
PPARG P37231 5/20 0.36
PTPN1 P18031 2/20 0.35
SCN9A Q15858 1/20 0.35
PPARD Q03181 2/20 0.35
AKT1 P31749 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB5 P18084 1/20 0.35
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3008460 0.91 KLK5 (0.39) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL3007552 0.83 HDAC8 (0.37) ITGB3ITGA2BSCN9AAKT1ITGB1
SCHEMBL1196353 0.82 ACE (0.48) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL1196352 0.82 ACE (0.48) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL3661777 0.79 ATM (0.34)
SCHEMBL191311 0.74 CTSK (0.43) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL191310 0.74 CTSK (0.43) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL490696 0.74 CTSK (0.43) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL31206670 0.73 GLS (0.36) TSHR
SCHEMBL6076773 0.72 PTGER1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ITGB3 3113/4885ITGA2B 3709/4885ACE 112/4885

“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.