SCHEMBL3662277

SCHEMBL3662277

COC(=O)C(C)(C)c1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.48
RORC P51449 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MITF O75030 1/20 0.36
PTPRB P23467 1/20 0.36
ELANE P08246 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
GPR35 Q9HC97 1/20 0.35
GRIA4 P48058 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL992226 0.86 RORC (0.50) BRS3RORCCNR2MITFELANE
SCHEMBL992252 0.85 HRH3 (0.41) MITFELANECA1CA2
SCHEMBL28575707 0.82 BRS3 (0.43) BRS3RORCCNR1CNR2
SCHEMBL3587301 0.80 MITF (0.53) MITFCA1CA2GRIA4EPHX2
SCHEMBL30334488 0.79 BRS3 (0.50) BRS3RORCCNR1CNR2EPHX2
SCHEMBL3656294 0.79 CYP4A11 (0.54) BRS3CNR1CNR2CA1CA2
SCHEMBL28758271 0.79 BRS3 (0.54) BRS3RORCCNR1CNR2CA1
SCHEMBL7044989 0.78 ACACB (0.38) BRS3CNR1CNR2ELANE
SCHEMBL3258334 0.78 CA2 (0.50) MITFCA1CA2
SCHEMBL21629639 0.77 BRS3 (0.53) BRS3RORCCNR1CNR2CA1

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-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
EP-2240464-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS Yuhan Corporation (KR) 2010-10-20 EP disclosed
WO-2009102155-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2009-08-20 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 (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-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH2, HRH4, HNMT BRS3 1384/4885RORC 3248/4885CNR1 1009/4885

“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.