SCHEMBL256083

SCHEMBL256083

CCc1cccc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.60
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
IL1RN P18510 1/20 0.54
USP2 O75604 1/20 0.53
MCOLN3 Q8TDD5 2/20 0.53

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
SCHEMBL12327773 0.98 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL14330951 0.92 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL307106 0.86 POLB (0.61) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL1001472 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL1002282 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL31728120 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL18617342 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL5476884 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL17048441 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRLMNATHRB
SCHEMBL20885033 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885SMN1; SMN2 2304/4885TSHR 153/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885SMN1; SMN2 1782/4885TSHR 92/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885TSHR 1278/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885TSHR 1278/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 ALDH1A1 3235/4885SMN1; SMN2 4746/4885TSHR 1278/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B ALDH1A1 1825/4885SMN1; SMN2 730/4885TSHR 871/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 ALDH1A1 664/4885SMN1; SMN2 1205/4885TSHR 1446/4885

“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.