SCHEMBL9752771

SCHEMBL9752771

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.64
PTPN1 P18031 3/20 0.62
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58
HDAC8 Q9BY41 1/20 0.57
YAP1 P46937 2/20 0.56
CTSS P25774 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSK P43235 1/20 0.56
REN P00797 1/20 0.55
PPARA Q07869 1/20 0.55
PPARG P37231 2/20 0.54
ACE P12821 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL9752770 1.00 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL7523637 1.00 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL18025361 0.94 BCL2 (0.63) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3723164 0.93 BCL2 (0.62) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL6161729 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3350988 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3500186 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL22404737 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA
SCHEMBL3355326 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA
SCHEMBL85543 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638415-A1 BIS-ESTER AND AMIDE CATIONIC LIPIDS Sanofi Pasteur Inc. (US) 2025-10-29 EP disclosed
WO-2024133853-A1 BIS-ESTER AND AMIDE CATIONIC LIPIDS SANOFI (FR) 2024-06-27 WO disclosed
US-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 US disclosed
US-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 US disclosed
US-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2021-01-28 US disclosed
CN-107954937-B Naamine derivatives, preparation method thereof and application thereof in treating plant viruses and bacterial diseases 天津师范大学 2020-09-22 CN disclosed
WO-2019186174-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2019-10-03 WO disclosed
CN-107954937-A Naamine analog derivatives and preparation method thereof and the application in treatment plant virus and germ disease 天津师范大学 2018-04-24 CN disclosed
WO-1991010733-A1 SYNTHETIC HELIZYME ENZYMES THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1991-07-25 WO 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-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS NGLY1, MAX, VIP BCL2 2314/4885PTPN1 2645/4885ITGB3 4170/4885
US-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA BCL2 1574/4885PTPN1 2632/4885ITGB3 4027/4885

“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.