SCHEMBL2654292

SCHEMBL2654292

COC(=O)CCNC(=O)c1ccc(C(C)Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
GCGR P47871 5/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN5 P54829 1/20 0.36
PPARA Q07869 4/20 0.36

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
SCHEMBL2659409 1.00 HDAC1 (0.39) HDAC1HDAC3HDAC6HDAC4GCGR
SCHEMBL3333740 0.91 GCGR (0.45) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653885 0.91 GCGR (0.45) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653343 0.90 GCGR (0.43) HDAC1HDAC3HDAC6HDAC4GCGR
SCHEMBL2653248 0.90 GCGR (0.43) HDAC1HDAC3HDAC6HDAC4GCGR
SCHEMBL2659483 0.89 GCGR (0.44) GCGRMAPTSMN1; SMN2PPARAVIPR2
SCHEMBL2654977 0.89 GCGR (0.44) GCGRMAPTSMN1; SMN2PPARAVIPR2
SCHEMBL2654875 0.89 GCGR (0.44) HDAC1HDAC3HDAC6HDAC4GCGR
SCHEMBL2662762 0.89 GCGR (0.44) HDAC1HDAC3HDAC6HDAC4GCGR
SCHEMBL2659493 0.89 GCGR (0.43) HDAC1HDAC3HDAC6HDAC4GCGR

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 HDAC1 4270/4885HDAC3 2027/4885HDAC6 3979/4885

“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.