SCHEMBL4037149

SCHEMBL4037149

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
GCGR P47871 2/20 0.56
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CASP6 P55212 1/20 0.50
PAX8 Q06710 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL14408985 0.86 GCGR (0.58) MEN1KMT2AGCGRALDH1A1MAPT
SCHEMBL3420092 0.79 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4039270 0.77 GCGR (0.54) MEN1KMT2AGCGRALDH1A1MAPT
SCHEMBL4045910 0.77 GCGR (0.60) MEN1KMT2AGCGRALDH1A1MAPT
SCHEMBL4048257 0.77 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4048261 0.77 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4040577 0.76 GCGR (0.59) MEN1KMT2AGCGRALDH1A1SMN1; SMN2
SCHEMBL28466631 0.76 STAT3 (0.73) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4042346 0.76 MEN1 (0.58) MEN1KMT2AGCGRALDH1A1MAPT
SCHEMBL4041711 0.76 MEN1 (0.62) MEN1KMT2AGCGRALDH1A1MAPT

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 MEN1 3106/4885KMT2A 4315/4885GCGR 2/4885

“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.