SCHEMBL3329372

SCHEMBL3329372

Cc1cc(S[C@H](CCC(F)(F)F)c2ccc(C(=O)O)s2)cc(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.39
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
PKM P14618 1/20 0.31
LIG1 P18858 1/20 0.31
HPGD P15428 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
SCHEMBL2653466 1.00 DAO (0.39) DAOPPARDPPARAPKMLIG1
SCHEMBL13647239 0.90 DAO (0.40) DAOPPARDPPARAPKMLIG1
SCHEMBL3333287 0.87 HDAC3 (0.44) PPARDPPARAHPGD
SCHEMBL2654040 0.87 HDAC3 (0.44) PPARDPPARAHPGD
SCHEMBL2655094 0.85 KMT2A (0.39)
SCHEMBL2655092 0.85 KMT2A (0.39)
SCHEMBL2654121 0.84 HDAC4 (0.31)
SCHEMBL3329420 0.84 HDAC3 (0.34) PPARDPPARA
SCHEMBL2653853 0.84 DAO (0.38) DAOPKMLIG1HPGD
SCHEMBL2653852 0.84 DAO (0.38) DAOPKMLIG1HPGD

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
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

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 2256/4885PPARD 145/4885PPARA 211/4885

“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.