SCHEMBL4072533

SCHEMBL4072533

Cc1ccc(C(C)NNC(=O)OC(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
APLNR P35414 1/20 0.36
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LCK P06239 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 0.82 NPSR1 (0.42) APLNRGAANPC1RAB9AMEN1
SCHEMBL5215045 0.74 CTSS (0.43) ALOX5
SCHEMBL4076229 0.74 NPSR1 (0.39) APLNRGAANPC1RAB9AMEN1
SCHEMBL7324523 0.73 CTSK (0.50) GAANPC1RAB9AMEN1KMT2A
SCHEMBL16689322 0.71 CTSS (0.38) MEN1KMT2AALDH1A1
SCHEMBL21339234 0.71 KDM4E (0.39) ALOX5GAAMEN1KMT2ATRPA1
SCHEMBL17902188 0.71 KDM4E (0.39) ALOX5GAAMEN1KMT2ATRPA1
SCHEMBL20581545 0.71 HTT (0.43) APLNRNPC1KMT2ALMNAPOLB
SCHEMBL15248418 0.70 KMT2A (0.40) NPC1RAB9AMEN1KMT2ATRPA1
SCHEMBL206754 0.69 NFKB1 (0.50) GAANPC1RAB9ANFKB1NFKB2

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 ALOX5 1146/4885APLNR 1044/4885GAA 1591/4885

“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.