SCHEMBL6279399

SCHEMBL6279399

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.58
RORC P51449 1/20 0.49
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
PIN1 Q13526 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
Toluene SCHEMBL28258996 0.87 CNR2 (0.54) CNR2RORCMAPTTSHRPIN1
SCHEMBL4115523 0.87 CNR2 (0.53) CNR2RORCTSHRCYP3A4
SCHEMBL9211 0.85 ALDH1A1 (0.49) CNR2RORCMAPTTSHRABCB11
SCHEMBL8173029 0.85 CNR2 (0.48) CNR2RORCTSHRABCB11CYP1A2
SCHEMBL6677336 0.85 ABCB11 (0.61) CNR2RORCTSHRABCB11CYP1A2
SCHEMBL397134 0.85 CYP1A2 (0.53) CNR2RORCMAPTNPC1RAB9A
SCHEMBL8434856 0.85 RORC (0.53) CNR2RORCMAPTTSHRABCB11
SCHEMBL1626657 0.85 CNR2 (0.48) CNR2RORCMAPTTSHRABCB11
SCHEMBL395978 0.85 PIN1 (0.54) CNR2RORCMAPTTSHRPIN1
Benzene SCHEMBL28258998 0.85 PIN1 (0.54) CNR2RORCMAPTTSHRPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS LIMITED (IN) 2012-08-23 US disclosed
US-7906644-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-6852863-B2 Metabolites of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER INC. (US) 2005-02-08 US disclosed
EP-1470109-A1 METABOLITES OF (3- [(4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL -PHENOXY)-ACETIC ACID Pfizer Products Inc. (US) 2004-10-27 EP disclosed
US-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid CAMERON KIMBERLY O (US) 2003-11-20 US disclosed
WO-2003064391-A1 METABOLITES OF (3-{[4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL}-PHENOXY)-ACETIC ACID PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
EP-0956286-B1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR INC (US) 2003-04-02 EP disclosed
US-6147217-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 2000-11-14 US disclosed
EP-0956286-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1999-11-17 EP disclosed
US-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 US disclosed
WO-1998033789-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1998-08-06 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-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CNR2 188/4885RORC 1341/4885MAPT 4104/4885
US-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid ABAT, BCAT2, PC CNR2 1835/4885RORC 1949/4885MAPT 1487/4885
US-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS GCK, GCKR, ALDOA CNR2 3243/4885RORC 3822/4885MAPT 324/4885

“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.