SCHEMBL4137241

SCHEMBL4137241

Cn1c(-c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
SCN9A Q15858 1/20 0.33
CPT1A P50416 2/20 0.32
CPT2 P23786 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MMP2 P08253 1/20 0.31
ADAM17 P78536 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
Hydrochloric Acid SCHEMBL426257 0.99 FFAR4 (0.34) FFAR4SCN9ACPT1ACPT2MRGPRX4
SCHEMBL10253090 0.96 SCN9A (0.34) FFAR4SCN9ACPT1ACPT2MRGPRX4
Hydrochloric Acid SCHEMBL429208 0.95 SCN9A (0.34) FFAR4SCN9ACPT1ACPT2MRGPRX4
SCHEMBL5733072 0.92 FFAR4 (0.34) FFAR4SCN9A
Hydrochloric Acid SCHEMBL423864 0.92 FFAR4 (0.34) FFAR4SCN9A
SCHEMBL10252739 0.91 BRPF1 (0.30) CPT1ACPT2
Hydrochloric Acid SCHEMBL426928 0.91 CPT2 (0.30) CPT1ACPT2
Hydrochloric Acid SCHEMBL428938 0.90 BRPF1 (0.30)
SCHEMBL4137244 0.89 FFAR4 (0.39) FFAR4CPT1ACPT2MRGPRX4
Hydrochloric Acid SCHEMBL426258 0.88 FFAR4 (0.38) FFAR4CPT1ACPT2MRGPRX4

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
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
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
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
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 (2 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 4607/4885SCN9A 3095/4885CPT1A 487/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI FFAR4 4607/4885SCN9A 3095/4885CPT1A 487/4885

“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.