SCHEMBL3333355

SCHEMBL3333355

CCOC(=O)c1ccc(C(C)(C)O)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TSHR P16473 4/20 0.54
HPGD P15428 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ERN1 O75460 2/20 0.41

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
SCHEMBL12514085 0.88 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL18909535 0.85 TSHR (0.56) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL16423406 0.85 HDAC4 (0.65) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL7018973 0.82 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4429773 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4432493 0.80 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL19892225 0.80 HDAC4 (0.61) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL21303399 0.80 HDAC4 (0.61) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4433279 0.78 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4429443 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115735-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2013-01-09 CN disclosed
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
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
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 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-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
CN-101115735-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2008-01-30 CN 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.