SCHEMBL2643042

SCHEMBL2643042

CCC(CC)C(=O)Nc1sc(-c2nc(C3(c4ccc(F)cc4Cl)CCCC3)no2)c(C)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.57
RORC P51449 1/20 0.36
ALDH1A1 P00352 10/20 0.35
MAPT P10636 6/20 0.35
HSD17B10 Q99714 6/20 0.35
TP53 P04637 4/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.32
BAP1 Q92560 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
ESR2 Q92731 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL2642683 0.90 GCGR (0.68) GCGRRORCALDH1A1MAPTHSD17B10
SCHEMBL2643247 0.81 GCGR (0.85) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2644279 0.76 GCGR (0.75) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2643093 0.74 GCGR (0.71) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2643002 0.73 GCGR (1.00) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2643627 0.72 GCGR (0.68) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2643392 0.72 GCGR (0.75) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2642810 0.72 GCGR (0.67) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2643102 0.71 GCGR (0.71) GCGRALDH1A1MAPTHSD17B10TP53
SCHEMBL2642890 0.70 GCGR (1.00) GCGRALDH1A1MAPTHSD17B10TP53

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 3/4885RORC 2214/4885ALDH1A1 2652/4885

“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.