SCHEMBL3588862

SCHEMBL3588862

COC(=O)Cc1nn(CC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
MAPT P10636 1/20 0.31
SHMT2 P34897 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
POLB P06746 1/20 0.31
FPR2 P25090 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PLA2G7 Q13093 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL3588863 0.95 ENPP2 (0.34) ENPP2KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13031176 0.83 HTT (0.38) KDM4EALDH1A1GAASMN1; SMN2HDAC1
Trifluoroacetic Acid SCHEMBL3582020 0.79 GAA (0.33) KDM4EGAASMN1; SMN2HDAC1HDAC7
SCHEMBL31105945 0.77 KDM4E (0.36) ENPP2KDM4EALDH1A1KMT2APLA2G7
SCHEMBL3588460 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL17151558 0.73 ALDH1A1 (0.40) KDM4EALDH1A1GAASMN1; SMN2SHMT2
SCHEMBL22057158 0.72 KDM4E (0.38) ENPP2KDM4EALDH1A1KMT2AMTNR1A
SCHEMBL26454238 0.71 ALDH1A1 (0.39) ENPP2KDM4EALDH1A1KMT2APLA2G7
SCHEMBL25925090 0.71 ALDH1A1 (0.36) ENPP2KDM4EALDH1A1GAAKMT2A
SCHEMBL18310021 0.71 KDM4E (0.37) ENPP2KDM4EALDH1A1KMT2AFPR2

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ENPP2 262/4885KDM4E 3447/4885ALDH1A1 971/4885

“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.