SCHEMBL21219348

SCHEMBL21219348

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 18/20 0.59
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
F13A1 P00488 2/20 0.53
TGM1 P22735 2/20 0.53
TGM6 O95932 1/20 0.53
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51

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
SCHEMBL21219350 1.00 TGM2 (0.59) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL26120906 0.94 TGM2 (0.58) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL26120901 0.94 TGM2 (0.58) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL20975607 0.90 ITGB3 (0.52) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL21219330 0.88 TGM2 (0.49) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL21219331 0.88 TGM2 (0.49) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL20873003 0.88 DPP8 (0.58) TGM2ITGB3ITGA2BKLK7KLK5
SCHEMBL28270832 0.88 ITGB3 (0.52) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL21009799 0.85 ITGB3 (0.62) TGM2ITGB3ITGA2BF13A1TGM1
SCHEMBL19707914 0.85 ITGB3 (0.62) TGM2ITGB3ITGA2BF13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521301-B1 POLYAMIDE COMPOUND AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2024-03-06 EP disclosed
US-11084847-B2 Polyamide compound and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200109166-A1 POLYAMIDE COMPOUND AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-04-09 US disclosed
EP-3521301-A1 POLYAMIDE COMPOUND AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-08-07 EP 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 (2 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-11084847-B2 Polyamide compound and use thereof OPRK1, OPRM1, OPRD1 TGM2 2129/4885ITGB3 2660/4885ITGA2B 2954/4885
US-20200109166-A1 POLYAMIDE COMPOUND AND USE THEREOF OPRK1, OPRM1, OPRD1 TGM2 2129/4885ITGB3 2660/4885ITGA2B 2954/4885

“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.