SCHEMBL2643392

SCHEMBL2643392

CCC(CC)C(=O)Nc1sc(-c2nc(CC3CCCCC3)no2)c(C)c1C#N

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.75
ALDH1A1 P00352 8/20 0.39
HPGD P15428 6/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL2642890 0.86 GCGR (1.00) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643510 0.82 GCGR (0.73) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2642823 0.81 GCGR (0.71) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643102 0.81 GCGR (0.71) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643627 0.79 GCGR (0.68) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2642810 0.78 GCGR (0.67) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643002 0.78 GCGR (1.00) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2644279 0.78 GCGR (0.75) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643247 0.77 GCGR (0.85) GCGRALDH1A1HPGDMAPTHSD17B10
SCHEMBL2643029 0.76 GCGR (0.64) GCGRALDH1A1HPGDMAPTHSD17B10

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 3/4885ALDH1A1 2652/4885HPGD 1674/4885

“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.