SCHEMBL2652613

SCHEMBL2652613

CCC(CC)(C(=O)OC)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM4 P08173 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
APLNR P35414 1/20 0.37

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
SCHEMBL28962592 0.83 MMP1 (0.38) CHRM2CHRM1CHRM3CHRM4HPGD
SCHEMBL9832437 0.82 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4L3MBTL1
SCHEMBL9832104 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3CHRM4L3MBTL1
SCHEMBL9832449 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3CHRM4L3MBTL1
SCHEMBL2654268 0.77 ALDH1A1 (0.41) CHRM2CHRM1CHRM3CHRM4TSHR
SCHEMBL826276 0.77 CHRM3 (0.49) CHRM2CHRM1CHRM3CHRM4RAB9A
SCHEMBL4636677 0.77 CHRM3 (0.48) CHRM2CHRM1CHRM3CHRM4TSHR
SCHEMBL7374418 0.77 NPSR1 (0.41) CHRM2CHRM1CHRM3CHRM4TSHR
SCHEMBL9831337 0.77 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4L3MBTL1
SCHEMBL1234112 0.76 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4L3MBTL1

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
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR CHRM2 597/4885CHRM1 909/4885CHRM3 375/4885

“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.