SCHEMBL2653343

SCHEMBL2653343

COC(=O)CCNC(=O)c1ccc([C@H](Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 1/20 0.35
PPARA Q07869 1/20 0.35
PTPN5 P54829 1/20 0.35
TP53 P04637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34

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
SCHEMBL2653248 1.00 GCGR (0.43) GCGRMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2655989 0.91 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655259 0.91 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL12056508 0.90 GCGR (0.38) GCGRMAPTPPARA
SCHEMBL2653068 0.90 GCGR (0.38) GCGRMAPTPPARA
SCHEMBL2660025 0.90 GCGR (0.38) GCGRMAPTPPARA
SCHEMBL13647182 0.90 GCGR (0.38) GCGRMAPTPPARA
SCHEMBL2659409 0.90 HDAC1 (0.39) GCGRMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2654292 0.90 HDAC1 (0.39) GCGRMAPTKDM4ELMNASMN1; SMN2
SCHEMBL3338020 0.89 GCGR (0.45) GCGRMAPTPPARA

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 GCGR 2/4885MAPT 4790/4885KDM4E 2675/4885

“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.