SCHEMBL4039316

SCHEMBL4039316

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(NCc1cnc(-c3ccccc3)s1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.59
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
KCNH2 Q12809 1/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4046144 0.86 GCGR (0.59) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL4038176 0.85 GCGR (0.77) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL4038180 0.81 GCGR (0.60) GCGRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4042947 0.79 GCGR (0.58) GCGRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL6316697 0.77 GCGR (0.61) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL2648406 0.76 GCGR (0.70) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL4039285 0.76 GCGR (0.73) GCGRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL4042850 0.76 GCGR (0.64) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL4041950 0.76 MAPT (0.36) GCGRALDH1A1HTTHSD17B10KDM4E
SCHEMBL4037178 0.75 GCGR (0.77) GCGRALDH1A1HTTHSD17B10KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP claimed
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US claimed
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 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-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885ALDH1A1 4206/4885HTT 2047/4885

“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.