SCHEMBL6923593

SCHEMBL6923593

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)[C@@H]1C(c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
F2 P00734 13/20 0.42
F10 P00742 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
TACR1 P25103 1/20 0.37
P2RX7 Q99572 2/20 0.37
MAPK8 P45983 1/20 0.37
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL6920125 0.88 ALDH1A1 (0.53) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6925082 0.86 ALDH1A1 (0.64) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6923594 0.85 ALDH1A1 (0.61) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6920132 0.82 ALDH1A1 (0.53) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7380524 0.81 F2 (0.53) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7452387 0.81 F2 (0.52) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7371988 0.79 F2 (0.47) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7370693 0.79 ALDH1A1 (0.49) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7374631 0.79 F2 (0.51) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7065314 0.78 ACE (0.49) ALDH1A1F2F10PRSS1PRSS2

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 ALDH1A1 4773/4885F2 2/4885F10 22/4885

“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.