SCHEMBL2642599

SCHEMBL2642599

CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)co2)c(C)c1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.76
MAPT P10636 5/20 0.37
HTT P42858 5/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2643002 0.86 GCGR (1.00) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643247 0.78 GCGR (0.85) GCGRMAPTKMT2AMEN1KDM4E
SCHEMBL2643764 0.77 GCGR (0.59) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2642683 0.76 GCGR (0.68) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643411 0.74 GCGR (0.74) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2642414 0.73 GCGR (0.69) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643932 0.72 GCGR (1.00) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643400 0.72 GCGR (0.58) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643039 0.72 GCGR (0.67) GCGRMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2643333 0.72 GCGR (0.60) GCGRMAPTHTTKMT2ASMN1; SMN2

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 3/4885MAPT 3828/4885HTT 3032/4885

“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.