SCHEMBL3590431

SCHEMBL3590431

O=C(O)N1CCC(c2csc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1CC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.37
CPT1A P50416 3/20 0.36
CPT2 P23786 1/20 0.36
TACR1 P25103 2/20 0.35
CCR2 P41597 10/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3587926 0.92 SCN9A (0.33) CPT1ACPT2
SCHEMBL3634133 0.87 CPT1A (0.31) CPT1ACPT2
SCHEMBL3591381 0.85 SCN9A (0.33) CPT1ACPT2
SCHEMBL3581541 0.83 CPT1A (0.34) CPT1ACPT2KDM4EALDH1A1
SCHEMBL3590433 0.79 TRPC3 (0.40) EIF4ECPT1ACPT2CCR2KDM4E
SCHEMBL3588558 0.79 PTGS1 (0.37)
SCHEMBL3586297 0.73 ALDH1A1 (0.43) EIF4ECPT1ACPT2KDM4EMEN1
SCHEMBL3580394 0.71 TRPC3 (0.44) CPT1ACPT2KDM4ELMNAHTT
SCHEMBL3587927 0.71 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3594582 0.69 RHOC (0.39) CPT1ACPT2KDM4EMEN1ALDH1A1

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 EIF4E 3717/4885CPT1A 1947/4885CPT2 2552/4885

“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.