SCHEMBL3069717

SCHEMBL3069717

Cc1nn(C)c(C)c1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.39
CHRM5 P08912 1/20 0.39
NMT1 P30419 1/20 0.39
FPR2 P25090 5/20 0.39
PROKR1 Q8TCW9 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Hydrochloric Acid SCHEMBL14759214 0.98 KDM4E (0.51) KDM4EPOLBAPEX1TDP1ALDH1A1
SCHEMBL2650212 0.79 L3MBTL1 (0.46) KDM4EPOLBAPEX1TDP1ALDH1A1
SCHEMBL347771 0.78 TSHR (0.44) ALDH1A1NPSR1TSHRGAAMAPT
SCHEMBL4895697 0.78 TSHR (0.44) ALDH1A1NPSR1TSHRGAAMAPT
SCHEMBL3376273 0.78 TSHR (0.44) KDM4EALDH1A1NPSR1TSHRGAA
Hydrochloric Acid SCHEMBL27293487 0.78 L3MBTL1 (0.45) KDM4EPOLBAPEX1TDP1ALDH1A1
Fluoride SCHEMBL27733765 0.78 L3MBTL1 (0.45) KDM4EPOLBAPEX1TDP1ALDH1A1
SCHEMBL14468543 0.77 ALDH1A1 (0.48) KDM4EALDH1A1NPSR1TSHRGAA
SCHEMBL13726542 0.75 TSHR (0.42) ALDH1A1NPSR1TSHRGAAMAPT
SCHEMBL14149159 0.75 TSHR (0.53) KDM4EALDH1A1NPSR1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462117-B1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-06-28 EP claimed
CN-102993195-B Substitutional-2-(chroman-6-oxyl) thiazole and application thereof as medicine 赛诺菲 2017-05-17 CN claimed
US-9169241-B2 Quinolinyloxyphenylsulfonamides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-10-27 US claimed
US-8912224-B2 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2014-12-16 US claimed
US-20140336191-A1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-11-13 US claimed
EP-2567958-B1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI SA (FR) 2014-10-29 EP claimed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US claimed
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-14 US claimed
EP-2567958-A1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2013-03-13 EP claimed
US-20120277231-A1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-11-01 US claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
CN-101410116-A Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-15 CN claimed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 EP claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 KDM4E 3381/4885POLB 1820/4885APEX1 4755/4885
US-20140336191-A1 QUINOLINYLOXYPHENYLSULFONAMIDES TP53, AQP1, KRAS KDM4E 3979/4885POLB 459/4885APEX1 2924/4885
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 KDM4E 3167/4885POLB 4869/4885APEX1 4548/4885
US-20120277231-A1 QUINOLINYLOXYPHENYLSULFONAMIDES TP53, AQP1, KRAS KDM4E 3979/4885POLB 459/4885APEX1 2924/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 KDM4E 3367/4885POLB 3424/4885APEX1 4041/4885
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, RYR1 KDM4E 3199/4885POLB 4876/4885APEX1 4553/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 KDM4E 4555/4885POLB 3854/4885APEX1 3192/4885
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR KDM4E 1156/4885POLB 3957/4885APEX1 3075/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDM4E 1393/4885POLB 1863/4885APEX1 1952/4885

“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.