SCHEMBL6924958

SCHEMBL6924958

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1C[N+]1(C(=O)C(O)(c2ccccc2)c2ccc(C(=O)OC(C)(C)C)cc2)CCC[C@H]1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
MAPK8 P45983 4/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC1 Q13547 1/20 0.31
IDO1 P14902 2/20 0.31
MC4R P32245 1/20 0.31
P2RX7 Q99572 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
F11 P03951 1/20 0.31

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 0.95 F2 (0.41) F2MAPK8ALDH1A1IDO1MC4R
SCHEMBL6921234 0.89 F2 (0.43) F2MAPK8ALDH1A1IDO1P2RX7
SCHEMBL6923524 0.86 F2 (0.38) F2MAPK8ALDH1A1IDO1P2RX7
SCHEMBL6921482 0.83 ALDH1A1 (0.38) F2MAPK8ALDH1A1IDO1MC4R
SCHEMBL6926915 0.81 F2 (0.39) F2MAPK8ALDH1A1IDO1ACACB
SCHEMBL6928608 0.80 ALDH1A1 (0.36) F2MAPK8ALDH1A1IDO1
SCHEMBL6926330 0.80 F2 (0.44) F2F11
SCHEMBL6924250 0.80 F2 (0.47) F2
SCHEMBL6926182 0.79 TSHR (0.35) F2MAPK8ALDH1A1
SCHEMBL6923429 0.79 F2 (0.41) F2ALDH1A1IDO1

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885MAPK8 1750/4885ALDH1A1 4773/4885

“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.