SCHEMBL992226

SCHEMBL992226

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
CNR2 P34972 7/20 0.39
BRS3 P32247 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PRSS1 P07477 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP8 P22894 1/20 0.35
MITF O75030 1/20 0.35
OPRK1 P41145 1/20 0.34
ELANE P08246 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3662277 0.86 BRS3 (0.48) RORCCNR2BRS3CA1CA2
SCHEMBL992252 0.83 HRH3 (0.41) PPARAPPARGCA1CA2MITF
SCHEMBL11426539 0.81 RORC (0.51) RORCCNR2BRS3CYP4F2CYP4A11
SCHEMBL14393384 0.81 RORC (0.51) RORCCNR2BRS3CYP4F2CYP4A11
SCHEMBL992232 0.80 CYP4F2 (0.57) RORCCNR2BRS3CYP4F2CYP4A11
SCHEMBL7046145 0.79 RORC (0.49) RORCCNR2BRS3CYP4F2CYP4A11
SCHEMBL8434856 0.78 RORC (0.53) RORCCNR2PPARAF2F10
SCHEMBL3587301 0.78 MITF (0.53) CA1CA2MITF
Hydrochloric Acid SCHEMBL11110222 0.77 RORC (0.48) RORCCNR2BRS3CYP4F2CYP4A11
SCHEMBL11045152 0.77 HPGD (0.54) CA1CA2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633223-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2014-01-21 US disclosed
US-8487106-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-07-16 US disclosed
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
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-8367704-B2 Process for preparation of 2-methyl-2′ phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-02-05 US disclosed
US-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KP) 2011-01-13 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 (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-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH4, HCAR2, HRH1 RORC 3069/4885CNR2 318/4885BRS3 1732/4885
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH2, HRH4, HNMT RORC 3248/4885CNR2 280/4885BRS3 1384/4885
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH1, HRH2, HRH4 RORC 2955/4885CNR2 247/4885BRS3 1716/4885

“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.