SCHEMBL2659544

SCHEMBL2659544

CCC[C@@H](O)c1ccc(C(=O)OCC)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
TSHR P16473 1/20 0.39
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL2653669 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL3166894 0.93 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL2653393 0.93 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL2654062 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL2660983 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL3332359 0.90 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL2655127 0.90 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6TAS1R3
SCHEMBL2660609 0.88 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL2654187 0.88 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6CDC7
SCHEMBL2659791 0.88 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6CDC7

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 8 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-7807702-B2 Substituted thiophene carboxylic amide glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1957484-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-03-03 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
US-20080300289-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-04 US 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 (2 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
US-20080300289-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR HDAC3 2326/4885HDAC4 4386/4885HDAC1 4451/4885

“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.