SCHEMBL23775465

SCHEMBL23775465

CC(C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
NAMPT P43490 3/20 0.58
HDAC1 Q13547 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RECQL P46063 1/20 0.52
NR1H4 Q96RI1 2/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC10 Q969S8 1/20 0.49
XBP1 P17861 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
SDCBP O00560 1/20 0.48
SDC2 P34741 1/20 0.48

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
SCHEMBL22291745 0.85 EPHX2 (0.64) NAMPTHDAC1L3MBTL1NR1H4HDAC6
SCHEMBL2507542 0.85 NAMPT (0.60) NAMPTHDAC1L3MBTL1NR1H4HDAC6
SCHEMBL6395877 0.85 NAMPT (0.50) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL3180689 0.84 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1MAPTNPSR1
SCHEMBL2588001 0.84 SDCBP (0.50) ALDH1A1NAMPTHDAC1L3MBTL1MAPT
SCHEMBL6622954 0.84 NAMPT (0.59) LMNACYP1A2CYP2C19NAMPTHDAC1
SCHEMBL4815641 0.83 NAMPT (0.51) NAMPTHDAC1L3MBTL1MAPTNPSR1
SCHEMBL21341006 0.83 NAMPT (0.52) NAMPTHDAC1L3MBTL1MAPTNPSR1
SCHEMBL23899245 0.83 NAMPT (0.72) LMNANAMPTHDAC1L3MBTL1MAPT
SCHEMBL5736115 0.83 HDAC1 (0.60) LMNACYP1A2CYP2C19NAMPTHDAC1

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
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
US-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNITED STATES GOVERNMENT 2023-03-23 US disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2021163631-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2021-08-19 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-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT CAPN2, CAPNS1, CAPN1 ALDH1A1 3467/4885LMNA 940/4885CYP1A2 3822/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 ALDH1A1 3630/4885LMNA 1021/4885CYP1A2 3243/4885

“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.