SCHEMBL549089

SCHEMBL549089

CCc1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA2 P00918 1/20 0.51
PPARG P37231 5/20 0.50
PPARA Q07869 5/20 0.50
NOD1 Q9Y239 5/20 0.49
NOD2 Q9HC29 4/20 0.49
PPARD Q03181 2/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
IDE P14735 1/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45
KMT2A Q03164 1/20 0.45
CXCL8 P10145 1/20 0.44

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
SCHEMBL28737041 0.90 NOD1 (0.62) CA12CA9CA2PPARGPPARA
SCHEMBL6867245 0.87 CA12 (0.54) CA12CA9CA2PPARGPPARA
SCHEMBL8691689 0.84 PPARG (0.52) CA12CA9CA2PPARGPPARA
SCHEMBL27247090 0.84 PPARG (0.52) CA12CA9CA2PPARGPPARA
SCHEMBL378955 0.84 CA12 (0.51) CA12CA9CA2PPARGPPARA
SCHEMBL4657662 0.84 PPARG (0.70) PPARGPPARANOD1NOD2PPARD
SCHEMBL13197106 0.84 CA12 (0.48) CA12CA9CA2PPARGPPARA
SCHEMBL10552139 0.83 PIK3C3 (0.48) CA12CA9CA2PPARGPPARA
SCHEMBL13388522 0.82 PDE4B (0.47) CA12CA9CA2NOD1NOD2
SCHEMBL734284 0.82 PPARG (0.56) CA12CA9CA2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 US disclosed
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 WO disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-20150322087-A1 CEPHALOSPORIN DERIVATIVES AND METHODS OF USE UNIVERSITY OF KANSAS 2015-11-12 US disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (4 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA CA12 2678/4885CA9 1665/4885CA2 548/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 CA12 4393/4885CA9 3105/4885CA2 2742/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT CA12 3739/4885CA9 2643/4885CA2 3254/4885
US-20150322087-A1 CEPHALOSPORIN DERIVATIVES AND METHODS OF USE CNDP2, CLSPN, PEPD CA12 4038/4885CA9 3327/4885CA2 4113/4885

“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.