SCHEMBL6924376

SCHEMBL6924376

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPK8 P45983 4/20 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
MC4R P32245 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6924958 0.95 F2 (0.39) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6921234 0.94 F2 (0.43) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6923524 0.91 F2 (0.38) F2ALDH1A1MAPK8IDO1P2RX7
SCHEMBL6921482 0.88 ALDH1A1 (0.38) F2ALDH1A1MAPK8IDO1MC4R
SCHEMBL6926915 0.86 F2 (0.39) F2ALDH1A1MAPK8IDO1ACACB
SCHEMBL6928608 0.84 ALDH1A1 (0.36) F2ALDH1A1MAPK8IDO1PTGER1
SCHEMBL6924250 0.84 F2 (0.47) F2
SCHEMBL6926182 0.84 TSHR (0.35) F2ALDH1A1MAPK8
SCHEMBL6923429 0.83 F2 (0.41) F2ALDH1A1IDO1
SCHEMBL6929082 0.82 F2 (0.40) F2ALDH1A1MAPK8IDO1

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 2/4885ALDH1A1 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.