SCHEMBL2654071

SCHEMBL2654071

CCOC(=O)c1ccc([C@@H](CCC(F)(F)F)Oc2cc(C)c(Br)c(C)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTPN2 P17706 2/20 0.36
GCGR P47871 2/20 0.35
ALDH1A1 P00352 5/20 0.34
DHODH Q02127 1/20 0.33
ERN1 O75460 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL2654069 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6PTPN2
SCHEMBL2652278 0.90 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6PTPN2
SCHEMBL2652279 0.90 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6PTPN2
SCHEMBL12056531 0.85 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC6PTPN2
SCHEMBL2660291 0.84 GCGR (0.46) HDAC3HDAC4HDAC1HDAC6GCGR
SCHEMBL2660288 0.84 GCGR (0.46) HDAC3HDAC4HDAC1HDAC6GCGR
SCHEMBL2654387 0.84 GCGR (0.53) HDAC3HDAC4HDAC1HDAC6GCGR
SCHEMBL2659117 0.84 GCGR (0.53) HDAC3HDAC4HDAC1HDAC6GCGR
SCHEMBL3333287 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6PTPN2
SCHEMBL2654040 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6PTPN2

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 HDAC3 2027/4885HDAC4 4076/4885HDAC1 4270/4885

“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.