SCHEMBL6921234

SCHEMBL6921234

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1C[N+]1(C(=O)[C@@](C)(O)c2ccccc2)CCC[C@H]1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
ALDH1A1 P00352 1/20 0.37
MAPK8 P45983 5/20 0.36
IDO1 P14902 2/20 0.34
P2RX7 Q99572 3/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL6924376 0.94 F2 (0.41) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6926915 0.92 F2 (0.39) F2ALDH1A1MAPK8IDO1ACACB
SCHEMBL6923524 0.91 F2 (0.38) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6924958 0.89 F2 (0.39) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6921482 0.88 ALDH1A1 (0.38) F2ALDH1A1MAPK8IDO1F10
SCHEMBL6926517 0.86 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL6928608 0.84 ALDH1A1 (0.36) F2ALDH1A1MAPK8IDO1PTGER1
SCHEMBL6925131 0.84 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL6925270 0.84 F2 (0.43) F2ALDH1A1MAPK8IDO1PRSS1
SCHEMBL6926182 0.84 TSHR (0.35) F2ALDH1A1MAPK8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885ALDH1A1 4773/4885MAPK8 1750/4885

“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.