SCHEMBL4035503

SCHEMBL4035503

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(NC(CO)C(C)(C)C)C2

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.66
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
PTPN5 P54829 1/20 0.44
POLB P06746 3/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL13963334 0.86 GCGR (0.50) GCGRALDH1A1MAPTNPSR1POLB
SCHEMBL2650404 0.80 GCGR (0.72) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL2647850 0.80 GCGR (1.00) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4038218 0.79 GCGR (0.57) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4040489 0.77 GCGR (0.60) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4037776 0.77 GCGR (0.59) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4042212 0.76 GCGR (0.59) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL6308719 0.75 GCGR (0.58) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4035921 0.75 GCGR (0.58) GCGRALDH1A1NPC1ALOX15MAPK1
SCHEMBL4038180 0.74 GCGR (0.60) GCGRALDH1A1NPC1ALOX15MAPK1

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 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-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US 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 4206/4885NPC1 1088/4885

“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.