SCHEMBL3010175

SCHEMBL3010175

CC(C)(C)OC(=O)c1ccc(NC(=O)C(N)Cc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.65
STAT3 P40763 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGGT1B P53609 1/20 0.48
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
LNPEP Q9UIQ6 2/20 0.44
ROCK2 O75116 1/20 0.44
HIF1A Q16665 1/20 0.44
CASR P41180 1/20 0.43
ERAP2 Q6P179 1/20 0.43
FOLH1 Q04609 1/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL3010169 1.00 SLC7A5 (0.65) SLC7A5STAT3FNTAFNTBPGGT1B
SCHEMBL2998428 0.92 SLC7A5 (0.61) SLC7A5STAT3ROCK2FOLH1F2
SCHEMBL2998430 0.92 SLC7A5 (0.61) SLC7A5STAT3ROCK2FOLH1F2
SCHEMBL2995178 0.89 SLC7A5 (0.56) SLC7A5STAT3LNPEPROCK2
SCHEMBL2995175 0.89 SLC7A5 (0.56) SLC7A5STAT3LNPEPROCK2
Hydrochloric Acid SCHEMBL23466585 0.88 SLC7A5 (0.55) SLC7A5STAT3LNPEPROCK2
SCHEMBL2998815 0.85 CTSS (0.52) SLC7A5STAT3
SCHEMBL2998812 0.85 CTSS (0.52) SLC7A5STAT3
SCHEMBL23486555 0.83 SLC7A5 (0.49) SLC7A5FNTAFNTBPGGT1BLNPEP
SCHEMBL15988605 0.82 HPGD (0.55) SLC7A5

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
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN 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
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 SLC7A5 1557/4885STAT3 2662/4885FNTA 1090/4885

“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.