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Sugi Predict / Compounds / SCHEMBL47585

SCHEMBL47585

SCHEMBL47585

CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ RXRA P19793 5/20 0.47
▸ RXRB P28702 4/20 0.47
▸ RXRG P48443 3/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ HDAC3 O15379 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14534692 0.87 DHODH (0.60) RXRARXRBRXRGDHODHEPHX2
SCHEMBL11347527 0.87 RXRA (0.49) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL10185366 0.87 DHODH (0.42) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL25160026 0.86 PARP1 (0.46) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL9967857 0.86 PARP1 (0.46) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL17896313 0.86 PARP1 (0.46) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL10233693 0.82 EPHX2 (0.43) RXRARXRBRXRGDHODHEPHX2
SCHEMBL25160028 0.82 TRPV1 (0.41) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL11353354 0.82 PARP1 (0.51) DHODHEPHX2NR1H4MAPTTP53
SCHEMBL545730 0.82 NOTUM (0.46) DHODHEPHX2NR1H4MAPTCASP7

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 — — US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 — — US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-8067403-B2 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. (US) 2011-11-29 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 — — US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 — — US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 — — US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 — — US disclosed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 — — US 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 (5 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-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG GABRA1 1353/4885GABRB2 1307/4885RXRA 299/4885
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C GABRA1 3855/4885GABRB2 4175/4885RXRA 3807/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GABRA1 3797/4885GABRB2 3476/4885RXRA 1916/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA GABRA1 3189/4885GABRB2 1842/4885RXRA 1967/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GABRA1 333/4885GABRB2 436/4885RXRA 338/4885

“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.