SCHEMBL4137244

SCHEMBL4137244

Cn1c(-c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
HSD17B10 Q99714 2/20 0.35
PPARD Q03181 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
CPT1A P50416 2/20 0.34
DGAT1 O75907 1/20 0.34
CPT2 P23786 1/20 0.34
PRKDC P78527 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G4A P47712 1/20 0.33
PTPN11 Q06124 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
Hydrochloric Acid SCHEMBL426258 0.99 FFAR4 (0.38) FFAR4HSD17B10PPARDMRGPRX4CPT1A
Hydrochloric Acid SCHEMBL429209 0.95 FFAR4 (0.38) FFAR4HSD17B10PPARDMRGPRX4CPT1A
SCHEMBL5733075 0.93 DGAT1 (0.40) FFAR4HSD17B10PPARDDGAT1TSHR
Hydrochloric Acid SCHEMBL423865 0.92 DGAT1 (0.40) FFAR4HSD17B10PPARDDGAT1TSHR
Hydrochloric Acid SCHEMBL428939 0.89 KMT2A (0.34) HSD17B10
Hydrochloric Acid SCHEMBL426929 0.89 NPY1R (0.34) CPT1ACPT2
SCHEMBL4137241 0.89 FFAR4 (0.34) FFAR4MRGPRX4CPT1ACPT2
Hydrochloric Acid SCHEMBL426257 0.88 FFAR4 (0.34) FFAR4MRGPRX4CPT1ACPT2
Hydrochloric Acid SCHEMBL424874 0.85 HSD17B10 (0.41) HSD17B10PPARDMRGPRX4DGAT1PRKDC
SCHEMBL10253090 0.84 SCN9A (0.34) FFAR4MRGPRX4CPT1ACPT2

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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI FFAR4 4607/4885HSD17B10 905/4885PPARD 1645/4885

“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.