SCHEMBL2643333

SCHEMBL2643333

CCC(CC)C(=O)Nc1sc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.60
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
GALK1 P51570 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 6/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2642822 0.84 GCGR (0.47) GCGRLMNAHTTMAPTSMN1; SMN2
SCHEMBL2643300 0.78 HPGD (0.47) GCGRHTTMAPTHPGDALDH1A1
SCHEMBL2647695 0.77 HPGD (0.47) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643411 0.76 GCGR (0.74) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643932 0.75 GCGR (1.00) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643133 0.74 GCGR (0.43) GCGRLMNAHTTMAPTSMN1; SMN2
SCHEMBL2642414 0.74 GCGR (0.69) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643400 0.73 GCGR (0.58) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643039 0.73 GCGR (0.67) GCGRLMNAHTTMAPTGALK1
SCHEMBL2643730 0.72 GCGR (0.64) GCGRLMNAHTTMAPTGALK1

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 3/4885LMNA 3295/4885HTT 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.