SCHEMBL2642682

SCHEMBL2642682

CCC(CC)C(=O)Nc1sc(COCc2ccc(Cl)cc2)c(C)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.50
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALK1 P51570 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2644577 0.83 APOBEC3G (0.58) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643253 0.77 GCGR (0.54) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2644182 0.74 APOBEC3G (0.59) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643974 0.73 ALDH1A1 (0.60) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2644648 0.72 GCGR (0.55) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643039 0.72 GCGR (0.67) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643400 0.71 GCGR (0.58) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2644096 0.71 APOBEC3G (0.67) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643107 0.71 GCGR (0.55) GCGRMAPTHTTLMNASMN1; SMN2
SCHEMBL2643566 0.71 GCGR (0.55) GCGRMAPTLMNASMN1; SMN2APOBEC3G

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.