SCHEMBL967916

SCHEMBL967916

Cc1ccc(S(=O)(=O)NCC#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
GBA1 P04062 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
CYP19A1 P11511 1/20 0.53
TSHR P16473 1/20 0.53
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52

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
SCHEMBL6020322 0.84 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL20451437 0.83 SIGMAR1 (0.54) GAACYP19A1CA2CA1MMP1
SCHEMBL3306367 0.82 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL10389233 0.82 ALDH1A1 (0.55) ALDH1A1CA12CA9GBA1CYP1A2
SCHEMBL2624207 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL5567042 0.79 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL19466252 0.79 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL17529225 0.79 CA2 (0.50) ALDH1A1CA12CA9CYP1A2CYP3A4
SCHEMBL10644344 0.79 CA2 (0.59) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL8213969 0.78 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246789-B Preparation method of nodestrat 上海医药集团青岛国风药业股份有限公司 2023-10-17 CN claimed
CN-115246789-A Preparation method of nodispat 上海医药集团青岛国风药业股份有限公司 2022-10-28 CN claimed
CN-110272386-B Preparation method of nodispat 上海医药集团青岛国风药业股份有限公司 2022-09-09 CN claimed
WO-2019174631-A1 METHOD FOR PREPARING NORSTAT 上海医药集团股份有限公司 2019-09-19 WO claimed
CN-115246789-B Preparation method of nodestrat 上海医药集团青岛国风药业股份有限公司 2023-10-17 CN disclosed
CN-115246789-A Preparation method of nodispat 上海医药集团青岛国风药业股份有限公司 2022-10-28 CN disclosed
CN-110272386-B Preparation method of nodispat 上海医药集团青岛国风药业股份有限公司 2022-09-09 CN disclosed
WO-2019174631-A1 METHOD FOR PREPARING NORSTAT 上海医药集团股份有限公司 2019-09-19 WO disclosed
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO disclosed
US-5990353-A DEMETALLIZING AN ARYLSULFONAMIDE ALKALI METAL SALT WITH AN AROMATIC ISOCYANATE COMPOUND IN AT LEAST ONE SOLVENT; USE AS A COLOR DEVELOPER FOR A THERMAL RECORDING MATERIAL WITH IMPROVED OIL RESISTANCE AND NONPLASTICIZED YAMAMOTO CHEMICALS, INC. (JP) 1999-11-23 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 (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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR ALDH1A1 2955/4885MEN1 4802/4885KMT2A 1772/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ALDH1A1 2955/4885MEN1 4802/4885KMT2A 1772/4885

“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.