SCHEMBL2653702

SCHEMBL2653702

CCC(CC)(CO)c1ccc(C(=O)O)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.62
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
LIG1 P18858 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2653844 0.85 L3MBTL1 (0.68) DAOHPGDTSHRMAPK1ATM
SCHEMBL3393174 0.79 DAO (0.61) DAOHPGDTSHRMAPK1ATM
SCHEMBL2653016 0.79 DAO (0.56) DAOHPGDTSHRMAPK1ATM
SCHEMBL27782216 0.79 DAO (0.61) DAOHPGDTSHRMAPK1ATM
SCHEMBL7008751 0.77 DAO (1.00) DAOHPGDTSHRMAPK1ATM
SCHEMBL19892228 0.75 DAO (0.67) DAOHPGDTSHRMAPK1ATM
Alcohol SCHEMBL28943550 0.75 DAO (0.60) DAOHPGDPKMLIG1ALDH1A1
SCHEMBL28267961 0.75 DAO (0.77) DAOHPGDTSHRMAPK1ATM
SCHEMBL335624 0.74 DAO (0.64) DAOHPGDTSHRMAPK1ATM
SCHEMBL6677272 0.73 DAO (0.89) DAOHPGDTSHRMAPK1ATM

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 DAO 2256/4885HPGD 1587/4885TSHR 64/4885

“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.