SCHEMBL3979786

SCHEMBL3979786

CC(C)(C)C(Oc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7037791 0.83 ATM (0.47) PPARGPPARAALDH1A1LMNAKMT2A
SCHEMBL16753082 0.82 LDHA (0.42) LDHAPPARGPPARASMN1; SMN2KMT2A
SCHEMBL28871353 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL657468 0.82 ALDH1A1 (0.39) LDHAALDH1A1KMT2AMAPK1MAPT
SCHEMBL3981309 0.81 HSD17B10 (0.48) LDHAALDH1A1KDM4ELMNAKMT2A
SCHEMBL17128645 0.79 PPARA (0.54) LDHAPPARGPPARAPOLB
SCHEMBL920157 0.79 ALDH1A3 (0.53) LDHAPPARGPPARAALDH1A1KMT2A
SCHEMBL22769041 0.78 GAA (0.44) PPARASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL7011447 0.78 KMT2A (0.42) LDHAPPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL7976795 0.78 LDHA (0.63) LDHAPPARGPPARASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3819305-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2021-05-12 EP disclosed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
EP-1606266-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
US-20060084651-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1606266-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-12-21 EP disclosed
WO-2004084813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-07 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 (3 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-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 LDHA 2889/4885PPARG 2415/4885PPARA 2817/4885
US-20060084651-A1 Chemical compounds STK25, MAP3K5, STK35 LDHA 2806/4885PPARG 2618/4885PPARA 2718/4885
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 LDHA 2889/4885PPARG 2415/4885PPARA 2817/4885

“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.