SCHEMBL29930528

SCHEMBL29930528

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TGM2 P21980 14/20 0.51
F13A1 P00488 2/20 0.47
TGM1 P22735 2/20 0.47
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TGM6 O95932 1/20 0.46
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45

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
SCHEMBL19708135 1.00 ITGB3 (0.52) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL21009949 1.00 ITGB3 (0.52) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL22694079 0.99 ITGB3 (0.51) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL20975607 0.95 ITGB3 (0.52) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL22582335 0.92 ITGB3 (0.49) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL26120901 0.86 TGM2 (0.58) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL26120906 0.86 TGM2 (0.58) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL13702142 0.85 TLR2 (0.53) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL28406498 0.85 KLK7 (0.47) ITGB3ITGA2BTLR2TLR1KLK7
SCHEMBL28406503 0.85 ITGB3 (0.55) ITGB3ITGA2BTGM2F13A1TGM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11471503-B2 Use of KOR agonist in combination with MOR agonist in preparing drug for treating pain JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 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-11471503-B2 Use of KOR agonist in combination with MOR agonist in preparing drug for treating pain OPRK1, OPRM1, OPRL1 ITGB3 2700/4885ITGA2B 1632/4885TGM2 2681/4885

“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.