SCHEMBL4040868

SCHEMBL4040868

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCCN2C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.48
MAPK10 P53779 3/20 0.46
MAPK9 P45984 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.42
ESR2 Q92731 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4039739 0.86 GCGR (0.51) GCGRMAPK10MAPK9ALDH1A1SMN1; SMN2
SCHEMBL4039431 0.85 GCGR (0.48) GCGRALDH1A1SMN1; SMN2RAB9APOLB
SCHEMBL4035982 0.83 GCGR (0.47) GCGRMAPK10ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4041569 0.76 GCGR (0.47) GCGRALDH1A1RAB9APOLBNPC1
SCHEMBL4037149 0.76 MEN1 (0.57) GCGRMAPK10ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4040586 0.74 GCGR (0.51) GCGRALDH1A1SMN1; SMN2RAB9APOLB
SCHEMBL2647695 0.74 HPGD (0.47) GCGRALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL4045910 0.73 GCGR (0.60) GCGRALDH1A1SMN1; SMN2RAB9APOLB
SCHEMBL4037869 0.72 BPTF (0.46) MAPK10MAPK9ALDH1A1SMN1; SMN2POLB
SCHEMBL2648246 0.70 GCGR (0.54) GCGRALDH1A1SMN1; SMN2RAB9APOLB

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 3 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-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 2/4885MAPK10 2263/4885MAPK9 2807/4885

“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.