SCHEMBL4041838

SCHEMBL4041838

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1cc(C)c(C)o1)Cc1ccc(Cl)cc1Cl)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.74
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.40
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL4039821 0.91 GCGR (0.75) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4039273 0.89 GCGR (0.72) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4035262 0.87 GCGR (0.82) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4040281 0.87 GCGR (0.82) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4038691 0.87 GCGR (0.82) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4039309 0.86 GCGR (0.75) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4039696 0.85 GCGR (0.77) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4042010 0.85 GCGR (0.80) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4037039 0.85 GCGR (0.78) GCGRTP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4043143 0.85 GCGR (0.79) GCGRTP53MAPTALDH1A1SMN1; SMN2

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 7 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
EP-1549655-A4 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2006-05-31 EP claimed
EP-1549655-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-07-06 EP claimed
WO-2004024065-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-03-25 WO 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 2/4885TP53 3716/4885MAPT 4485/4885

“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.