SCHEMBL2998841

SCHEMBL2998841

Nc1n[nH]c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
PTPN1 P18031 2/20 0.52
ERAP2 Q6P179 1/20 0.51
GPR132 Q9UNW8 3/20 0.50
ACE P12821 2/20 0.50
AGTR2 P50052 2/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KLK1 P06870 1/20 0.48

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
SCHEMBL2998848 1.00 F11 (0.65) F11PRSS1PRSS2PRSS3CA2
SCHEMBL392725 0.79 F11 (1.00) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL1281251 0.79 F11 (1.00) F11PRSS1PRSS2PRSS3KLK1
SCHEMBL1828604 0.79 PTPN1 (0.56) CA2CA1PTPN1GPR132ACE
SCHEMBL7442309 0.76 CA2 (0.71) CA2CA1PTPN1GPR132ACE
SCHEMBL7442291 0.76 CA2 (0.71) CA2CA1PTPN1GPR132ACE
SCHEMBL6790346 0.76 AGTR2 (0.56) CA2CA1PTPN1GPR132ACE
SCHEMBL6786437 0.76 AGTR2 (0.56) CA2CA1PTPN1GPR132ACE
SCHEMBL528464 0.74 ACE (0.76) CA2CA1PTPN1GPR132ACE
SCHEMBL111236 0.74 ACE (0.76) CA2CA1PTPN1GPR132ACE

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 F11 1/4885PRSS1 51/4885PRSS2 99/4885

“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.