SCHEMBL4422918

SCHEMBL4422918

Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.56
PRSS1 P07477 5/20 0.56
CASP1 P29466 1/20 0.43
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ELANE P08246 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL4420702 0.85 F2 (0.62) F2PRSS1CASP1ALDH1A1HDAC8
SCHEMBL8367165 0.82 F2 (0.63) F2PRSS1CASP1
SCHEMBL23460649 0.82 ELANE (0.47) F2PRSS1ALDH1A1KDM4EELANE
SCHEMBL4424252 0.81 ELANE (0.61) F2PRSS1CASP1ELANE
SCHEMBL4421701 0.81 F2 (0.73) F2PRSS1
SCHEMBL23460591 0.79 KDM4E (0.43) F2PRSS1PLA2G10PLA2G5ALDH1A1
SCHEMBL30765994 0.77 ELANE (0.46) F2ALDH1A1KDM4EELANE
SCHEMBL23461186 0.74 F2 (0.49) F2PRSS1ALDH1A1KDM4E
SCHEMBL30765952 0.74 ELANE (0.41) F2ALDH1A1KDM4EELANE
SCHEMBL23460572 0.74 F2 (0.57) F2PRSS1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US 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-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 F2 7/4885PRSS1 86/4885CASP1 314/4885

“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.