SCHEMBL6455396

SCHEMBL6455396

COc1cc(C)c(S(=O)(=O)NC(CC(=O)NCCCC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 8/20 0.53
▸ PLG P00747 4/20 0.52
▸ AVPR1A P37288 5/20 0.44
▸ HPN P05981 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLAU P00749 3/20 0.41

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
SCHEMBL6455404 1.00 AVPR1B (0.53) AVPR1BPLGAVPR1AHPNST14
SCHEMBL6461926 0.92 PLG (0.54) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL6461917 0.92 PLG (0.54) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL14959645 0.87 PLG (0.52) AVPR1BPLGAVPR1AST14PLAU
SCHEMBL9196889 0.85 PLG (0.59) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL7315979 0.85 PLG (0.59) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL30116337 0.85 PLG (0.59) AVPR1BPLGAVPR1AF10PLAU
Hydrochloric Acid SCHEMBL6461959 0.85 PLG (0.59) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL8267900 0.81 PLG (0.60) AVPR1BPLGAVPR1AF10PLAU
SCHEMBL19139866 0.80 PLG (0.50) AVPR1BPLGAVPR1AF10PLAU

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-6875755-B2 Antithrombotic compound AKZO NOBEL N.V. (NL) 2005-04-05 — — US disclosed
US-20030114361-A1 Antithrombotic compound MERCK SHARP & DOHME B.V. (NL) 2003-06-19 — — 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-20030114361-A1 Antithrombotic compound SERPINC1, ADAMTS13, F2 AVPR1B 2066/4885PLG 44/4885AVPR1A 2444/4885

“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.

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