SCHEMBL3011111

SCHEMBL3011111

COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
CTSL P07711 1/20 0.55
ATM Q13315 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.52
LNPEP Q9UIQ6 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL3011109 1.00 RAB9A (0.67) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL3010227 0.91 PTPN1 (0.61) RAB9AGAACA12CA1CA2
SCHEMBL3010221 0.91 PTPN1 (0.61) RAB9AGAACA12CA1CA2
SCHEMBL28396714 0.91 PTPN1 (0.61) RAB9AGAACA12CA1CA2
SCHEMBL28391653 0.90 MAPT (0.57) RAB9AGAACTSLATMCYP2C9
SCHEMBL30440561 0.90 MAPT (0.57) RAB9AGAACTSLATMCYP2C9
SCHEMBL28391656 0.90 MAPT (0.57) RAB9AGAACTSLATMCYP2C9
SCHEMBL28392374 0.88 LNPEP (0.57) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL28392375 0.88 LNPEP (0.57) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL11266040 0.88 GAA (0.58) RAB9AGAAALDH1A1LMNAGLA

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 RAB9A 2814/4885GAA 2634/4885ALDH1A1 4454/4885

“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.