Sugi Predict

Sugi Predict / Compounds / SCHEMBL1192193

SCHEMBL1192193

SCHEMBL1192193

Cc1ccc(S(=O)(=O)OCC2CCOC(C)(C)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.54
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL282892 0.80 CYP2D6 (0.40) ALDH1A1MAPTMAPK1CYP2D6CYP1A2
SCHEMBL16302174 0.80 HTT (0.40) HTTALDH1A1MAPTMAPK1CYP2D6
SCHEMBL19874184 0.80 MMP2 (0.44) HTTPOLBALDH1A1MAPTMAPK1
SCHEMBL1846086 0.79 CYP2D6 (0.38) HTTALDH1A1MAPTMAPK1GAA
SCHEMBL17709993 0.79 STAT3 (0.39) HTTALDH1A1GAACYP2D6CYP1A2
SCHEMBL18733678 0.79 MMP2 (0.40) HTTPOLBALDH1A1MAPTMAPK1
SCHEMBL18603239 0.78 HTT (0.56) HTTPOLBALDH1A1CYP2D6CYP1A2
SCHEMBL10210972 0.78 HTT (0.56) HTTPOLBALDH1A1CYP2D6CYP1A2
SCHEMBL7032005 0.78 CYP2D6 (0.45) ALDH1A1MAPTMAPK1GAACYP2D6
SCHEMBL26655196 0.78 CYP2D6 (0.45) ALDH1A1MAPTMAPK1GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 — — EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20130324530-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG 2013-12-05 — — US disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 — — EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US disclosed
EP-2640702-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS Novartis AG (CH) 2013-09-25 — — EP disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 — — US disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 — — US disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 — — EP disclosed
WO-2012066070-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 — — US disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 — — 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 (7 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 HTT 1357/4885POLB 440/4885ALDH1A1 2639/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 HTT 1357/4885POLB 440/4885ALDH1A1 2639/4885
US-20130324530-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS CDK9, CDK19, CDK3 HTT 2640/4885POLB 595/4885ALDH1A1 1949/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 HTT 1357/4885POLB 440/4885ALDH1A1 2639/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 HTT 2734/4885POLB 159/4885ALDH1A1 2220/4885
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 HTT 3359/4885POLB 1063/4885ALDH1A1 1961/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 HTT 3423/4885POLB 885/4885ALDH1A1 1763/4885

“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.