SCHEMBL2653016

SCHEMBL2653016

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.56
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.43
LIG1 P18858 1/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
YEATS4 O95619 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 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
SCHEMBL27782216 0.85 DAO (0.61) DAOTSHRLMNAHPGDMAPK1
SCHEMBL2652905 0.84 HPGD (0.67) DAOTSHRLMNAHPGDMAPK1
SCHEMBL335624 0.80 DAO (0.64) DAOTSHRLMNAHPGDMAPK1
SCHEMBL2653702 0.79 DAO (0.62) DAOTSHRLMNAHPGDMAPK1
SCHEMBL864408 0.79 DAO (0.62) DAOTSHRLMNAHPGDMAPK1
SCHEMBL19892228 0.78 DAO (0.67) DAOTSHRLMNAHPGDMAPK1
SCHEMBL16423090 0.77 DAO (0.71) DAOTSHRLMNAHPGDMAPK1
SCHEMBL20912453 0.75 TSHR (0.51) DAOTSHRLMNAHPGDMAPK1
SCHEMBL24036186 0.74 DAO (0.56) DAOTSHRLMNAHPGDMAPK1
SCHEMBL3393174 0.74 DAO (0.61) DAOTSHRLMNAHPGDMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115735-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2013-01-09 CN disclosed
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
CN-101115735-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-01-30 CN 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 2256/4885TSHR 64/4885LMNA 3346/4885

“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.