SCHEMBL25136303

SCHEMBL25136303

CC(C)(O)c1cc(C(=O)O)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
LMNA P02545 2/20 0.41
GPR35 Q9HC97 2/20 0.40
ALOX15 P16050 3/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.32
ACMSD Q8TDX5 1/20 0.32
MCL1 Q07820 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
DAO P14920 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL5528099 0.87 KMO (0.45) KMOLMNAGPR35ALOX15TSHR
SCHEMBL25485771 0.84 KMO (0.43) KMOLMNAGPR35ALOX15TSHR
SCHEMBL25136366 0.81 NQO2 (0.40) LMNAALDH1A1MAPK1KDM4E
SCHEMBL30261798 0.80 KMO (0.45) KMOLMNAGPR35ALOX15TSHR
SCHEMBL25859898 0.80 KMO (0.45) KMOLMNAGPR35ALOX15TSHR
SCHEMBL7878295 0.78 LMNA (0.62) KMOLMNAGPR35ALOX15TSHR
SCHEMBL6120764 0.76 ALOX15 (0.37) LMNAGPR35ALOX15TSHRHIF1A
SCHEMBL2272279 0.75 HRH4 (0.35) LMNASMN1; SMN2HRH4
SCHEMBL27055930 0.73 KMT2A (0.44) LMNAALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL1179028 0.73 ALDH1A1 (0.55) KMOLMNAGPR35ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 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 (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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT KMO 3243/4885LMNA 1413/4885GPR35 1272/4885

“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.