SCHEMBL2032272

SCHEMBL2032272

COc1cc([N+](=O)[O-])ccc1S(N)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
TDP1 Q9NUW8 1/20 0.57
ALPL P05186 2/20 0.53
CA2 P00918 6/20 0.51
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA9 Q16790 5/20 0.51
CA4 P22748 2/20 0.51
PKM P14618 2/20 0.49
CA5A P35218 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL38656746 1.00 HTT (0.63) HTTTDP1ALPLCA2CA12
SCHEMBL5188245 0.87 TDP1 (0.61) HTTTDP1CA2CA12CA1
SCHEMBL1098646 0.85 HTT (0.60) HTTTDP1ALPLPKMLMNA
SCHEMBL17373258 0.84 HTT (0.58) HTTTDP1ALPLPKMLMNA
SCHEMBL282513 0.84 HTT (0.58) HTTTDP1ALPLPKMLMNA
SCHEMBL10035010 0.83 CYP19A1 (0.47) HTTCA2CA12CA1CA9
SCHEMBL3573840 0.83 HTT (0.57) HTTTDP1ALPLPKMLMNA
SCHEMBL11588839 0.82 HTT (0.60) HTTTDP1ALPLCA2CA12
SCHEMBL16305322 0.81 ALPL (0.60) HTTTDP1ALPLCA2CA12
SCHEMBL31195232 0.81 ALDH1A1 (0.61) HTTTDP1ALPLPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 CN disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
EP-3817815-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
CN-112584899-A NLRP modulators 诺华股份有限公司 2021-03-30 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1594866-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2005-11-16 EP disclosed
EP-1530574-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-18 EP disclosed
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 US disclosed
US-20040176431-A1 Antiproliferative 2-(sulfo-phenyl)-aminothiazole derivatives and pharmaceutical compositions, and methods for their use PFIZER, INC. 2004-09-09 US disclosed
WO-2004072070-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2004-08-26 WO disclosed
WO-2004026881-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-01 WO disclosed
US-4211776-A ANTIEMETICS CHOAY S.A. (FR) 1980-07-08 US disclosed
US-4132786-A ANTIEMETICS, ANTICONVULSANTS, ANESTHETICS, ANTIBIOTICS MOREAU ROBERT C 1979-01-02 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 (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-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 HTT 3312/4885TDP1 2236/4885ALPL 4547/4885
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases CCNK, CDK2, CDK1 HTT 4545/4885TDP1 1454/4885ALPL 4580/4885
US-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 HTT 3620/4885TDP1 3380/4885ALPL 3939/4885
US-20040176431-A1 Antiproliferative 2-(sulfo-phenyl)-aminothiazole derivatives and pharmaceutical compositions, and methods for their use MKI67, TK1, CDK2 HTT 3024/4885TDP1 1624/4885ALPL 3338/4885

“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.