SCHEMBL3581541

SCHEMBL3581541

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)O)C(CC4c5ccccc5-c5ccccc54)C3)cs2)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 11/20 0.34
CPT2 P23786 5/20 0.34
CPT1B Q92523 4/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR5 P51681 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
SHMT1 P34896 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
SCHEMBL3591381 0.92 SCN9A (0.33) CPT1ACPT2CPT1BSCN9ACCR5
SCHEMBL3587926 0.88 SCN9A (0.33) CPT1ACPT2CPT1BSCN9ACCR5
SCHEMBL3588558 0.84 PTGS1 (0.37)
SCHEMBL3590431 0.83 EIF4E (0.37) CPT1ACPT2KDM4EALDH1A1
SCHEMBL3634133 0.82 CPT1A (0.31) CPT1ACPT2SCN9A
SCHEMBL3581546 0.81 KDM4E (0.36) CPT1ACPT2SCN9AKDM4EALDH1A1
SCHEMBL3591383 0.73 ALDH1A1 (0.37) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3588041 0.70 USP30 (0.38) CPT1ACPT2CPT1BSCN9ACCR5
SCHEMBL3587927 0.69 ALDH1A1 (0.38) SCN9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14496005 0.69 L3MBTL1 (0.35) SCN9AKDM4EALDH1A1HSD17B10

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 CPT1A 1947/4885CPT2 2552/4885CPT1B 2772/4885

“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.