SCHEMBL2653852

SCHEMBL2653852

Cc1cc(SC(CC(C)(C)C)c2ccc(C(=O)O)s2)cc(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.38
PKM P14618 1/20 0.32
LIG1 P18858 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2653853 1.00 DAO (0.38) DAOPKMLIG1HPGDKDM4E
SCHEMBL13647239 0.90 DAO (0.40) DAOPKMLIG1HPGDKDM4E
SCHEMBL2652496 0.87 HDAC3 (0.40) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL2652492 0.87 HDAC3 (0.40) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL3329372 0.84 DAO (0.39) DAOPKMLIG1HPGD
SCHEMBL2653466 0.84 DAO (0.39) DAOPKMLIG1HPGD
SCHEMBL2658615 0.83 GRIA4 (0.38) DAOALDH1A1MAPT
SCHEMBL2655771 0.81 PPARD (0.41)
SCHEMBL2652412 0.81 KMT2A (0.35) KDM4EALDH1A1MAPTKMT2ANPC1
SCHEMBL2652408 0.81 KMT2A (0.35) KDM4EALDH1A1MAPTKMT2ANPC1

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 2256/4885PKM 1560/4885LIG1 4821/4885

“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.