SCHEMBL408195

SCHEMBL408195

[C-]#[N+]C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.47
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL29956006 0.91 GAA (0.45) NPY2RCA12CA9CA1CA2
SCHEMBL29954292 0.91 MMP2 (0.41) NPY2RCA12CA9CA1CA2
SCHEMBL5837673 0.85 HTT (0.41) NPY2RCYP2D6MAPK1CA12CA9
SCHEMBL29956135 0.83 UTS2R (0.43) CYP2D6MAPK1SMN1; SMN2HTTGAA
SCHEMBL4799859 0.83 ALDH1A1 (0.42) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL4802706 0.83 RAPGEF4 (0.39) NPY2RCA12CA9CA1CA2
SCHEMBL992209 0.83 ACHE (0.42) SMN1; SMN2HTTGAAALDH1A1LMNA
SCHEMBL29954094 0.83 KMT2A (0.43) NPY2RCA12CA9CA1CA2
SCHEMBL1308951 0.82 ALDH1A1 (0.49) NPY2RMAPK1SMN1; SMN2GAAALDH1A1
SCHEMBL5851624 0.82 MAPT (0.44) NPY2RCYP2D6SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
CN-110234631-B Composition for treating hypertension and/or fibrosis 维克特斯生物系统有限公司 2023-02-28 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2266981-B1 Benzothiazole compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-07-06 EP disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
US-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
WO-2005060967-A1 METHODS OF TREATING ACUTE INFLAMMATION IN ANIMALS WITH p38 MAP KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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 (2 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-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A NPY2R 281/4885CYP2D6 458/4885MAPK1 1943/4885
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER TP53, MDM4, MDM2 NPY2R 4714/4885CYP2D6 2635/4885MAPK1 1382/4885

“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.