SCHEMBL2643039

SCHEMBL2643039

CCC(CC)C(=O)Nc1sc(CN(Cc2ccc(Cl)cc2Cl)CC(C)C)c(C)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.67
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALK1 P51570 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2642414 0.86 GCGR (0.69) GCGRHTTNPSR1APOBEC3GLMNA
SCHEMBL2643411 0.82 GCGR (0.74) GCGRHTTNPSR1APOBEC3GLMNA
SCHEMBL2643932 0.80 GCGR (1.00) GCGRHTTNPSR1APOBEC3GLMNA
SCHEMBL2643730 0.77 GCGR (0.64) GCGRHTTNPSR1APOBEC3GLMNA
SCHEMBL4035262 0.75 GCGR (0.82) GCGRMAPTSMN1; SMN2ALDH1A1SLC6A2
SCHEMBL2643400 0.73 GCGR (0.58) GCGRHTTAPOBEC3GLMNAMAPT
SCHEMBL2643333 0.73 GCGR (0.60) GCGRHTTLMNAMAPTSMN1; SMN2
SCHEMBL4042010 0.72 GCGR (0.80) GCGRNPSR1LMNAMAPTSMN1; SMN2
SCHEMBL2642682 0.72 GCGR (0.50) GCGRHTTNPSR1APOBEC3GLMNA
SCHEMBL2642599 0.72 GCGR (0.76) GCGRHTTNPSR1APOBEC3GLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885HTT 3032/4885NPSR1 292/4885

“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.