SCHEMBL30007346

SCHEMBL30007346

COc1cc(C)c(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.54
AVPR1A P37288 7/20 0.47
PLG P00747 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
BMP1 P13497 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL1509781 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL1509780 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL7898282 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL9329697 0.93 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1F2
Phenylalanine SCHEMBL6286710 0.90 AVPR1B (0.59) AVPR1BAVPR1APLGBMP1F2
SCHEMBL2873083 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL1738663 0.88 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1
SCHEMBL29816989 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL3501647 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2
SCHEMBL7368157 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2

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
CN-121577501-A Polypeptide aggregation trend prediction method based on dynamic light scattering 中肽生化有限公司 2026-02-27 CN disclosed
US-11471868-B2 Redox dehydration coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 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-11471868-B2 Redox dehydration coupling catalysts and methods related thereto SCLY, TST, SQOR AVPR1B 3743/4885AVPR1A 3549/4885PLG 2220/4885

“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.