SCHEMBL2652408

SCHEMBL2652408

COC(=O)CCNC(=O)c1ccc(C(CC(C)(C)C)Sc2cc(C)c(Br)c(C)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
NAMPT P43490 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ESR1 P03372 1/20 0.32
VDR P11473 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31
HTT P42858 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
SCHEMBL2652412 1.00 KMT2A (0.35) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL12064428 0.92 SMN1; SMN2 (0.34) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2652337 0.87 SMN1; SMN2 (0.33) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2659300 0.87 SMN1; SMN2 (0.33) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2655315 0.86 GCGR (0.39) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2655316 0.86 GCGR (0.39) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2653180 0.85 GCGR (0.37) MAPT
SCHEMBL2662693 0.85 GCGR (0.37) MAPT
SCHEMBL2653908 0.84 NAMPT (0.36) KMT2ANAMPTSMN1; SMN2MAPTLMNA
SCHEMBL2653910 0.84 NAMPT (0.36) KMT2ANAMPTSMN1; SMN2MAPTLMNA

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 KMT2A 3398/4885NAMPT 1760/4885SMN1; SMN2 3282/4885

“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.