SCHEMBL2878771

SCHEMBL2878771

COC(=O)c1cc2c(cc1Br)C(=O)CCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAOB P27338 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAOA P21397 1/20 0.43
GRM5 P41594 5/20 0.42
HPGD P15428 2/20 0.38
L3MBTL4 Q8NA19 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL2654791 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL12366007 0.81 KDM4E (0.44) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL1279441 0.81 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDL3MBTL4
SCHEMBL16333691 0.78 MAOB (0.45) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL23363326 0.75 MAOB (0.45) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL31457765 0.75 MAOB (0.45) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL552716 0.74 GRM5 (0.56) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL29446216 0.74 GRM5 (0.47) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL670311 0.74 GRM5 (0.47) ALDH1A1KDM4EMAOBSMN1; SMN2MAOA
SCHEMBL17782662 0.74 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803951-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2010-09-28 US disclosed
US-20090054506-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
CN-101146763-A Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK & CO INC (US) 2008-03-19 CN 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-20090054506-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 ALDH1A1 4286/4885KDM4E 4042/4885MAOB 1461/4885

“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.