SCHEMBL3011748

SCHEMBL3011748

Cc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)n(C)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.51
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
PPARA Q07869 6/20 0.42
PPARG P37231 5/20 0.42
PTPN1 P18031 2/20 0.40
PPARD Q03181 2/20 0.40
CTSS P25774 2/20 0.40
SCN9A Q15858 1/20 0.40
AKT1 P31749 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3011751 1.00 ACE (0.51) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL15650195 0.89 KLK5 (0.44) ACEITGA4ITGB7CTSSAKT1
SCHEMBL15650193 0.89 KLK5 (0.44) ACEITGA4ITGB7CTSSAKT1
SCHEMBL28029476 0.88 ACE (0.44) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL15998249 0.87 ITGA4 (0.44) ACEITGA4ITGB7CTSSCTSL
SCHEMBL15649451 0.83 REN (0.39) ACEITGA4ITGB7CTSSAKT1
SCHEMBL15649447 0.83 REN (0.39) ACEITGA4ITGB7CTSSAKT1
SCHEMBL28029796 0.81 CTSS (0.40) CTSSAKT1CTSLCTSBCTSK
SCHEMBL1196352 0.81 ACE (0.48) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL1196353 0.81 ACE (0.48) ACEITGA4ITGB7ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909197-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-03-04 EP disclosed
US-9663512-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-05-30 US disclosed
US-20150266873-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-09-24 US disclosed
EP-2909197-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Ltd. (GB) 2015-08-26 EP disclosed
CN-104870440-A Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LTD 2015-08-26 CN disclosed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN disclosed
WO-2014060768-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-04-24 WO disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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 (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-20150266873-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY PC, BAD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACE 1088/4885ITGA4 4821/4885ITGB7 4591/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ACE 112/4885ITGA4 4230/4885ITGB7 3438/4885

“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.