SCHEMBL4076229

SCHEMBL4076229

[2H]C([2H])([2H])C(NNC(=O)OC(C)(C)C)c1ccc(C(=O)OC)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 2/20 0.33
ATR Q13535 1/20 0.32
APLNR P35414 1/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL15061632 0.91 NPSR1 (0.42) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4072533 0.74 ALOX5 (0.39) LMNAPOLBAPLNRGAAALDH1A1
SCHEMBL6492852 0.73 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4076258 0.71 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL6385504 0.71 CA1 (0.45) TSHRGAAALDH1A1NPC1RAB9A
SCHEMBL15061654 0.69 NPSR1 (0.45) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL380561 0.69 L3MBTL1 (0.49) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4150440 0.68 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL22624633 0.68 HPGD (0.44) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4076251 0.68 RAB9A (0.45) NPSR1HPGDTSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470773-B2 Thiophenes as glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20120108505-A1 THIOPHENES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION 2012-05-03 US 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-20120108505-A1 THIOPHENES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GPR119 NPSR1 188/4885HPGD 2127/4885TSHR 6/4885

“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.