SCHEMBL4045910

SCHEMBL4045910

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.60
ALDH1A1 P00352 6/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13963028 0.81 PTPN1 (0.43) GCGRALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4040577 0.80 GCGR (0.59) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL2650404 0.79 GCGR (0.72) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4037149 0.77 MEN1 (0.57) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL14408997 0.77 GCGR (0.55) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL2647850 0.75 GCGR (1.00) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL2648406 0.73 GCGR (0.70) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4040586 0.73 GCGR (0.51) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL2649507 0.73 GCGR (0.83) GCGRALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4039431 0.73 GCGR (0.48) GCGRALDH1A1POLBRAB9ASMN1; 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 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 4206/4885POLB 4462/4885

“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.