SCHEMBL168176

SCHEMBL168176

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.55
CA1 P00915 5/20 0.55
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 2/20 0.53
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL11855965 0.89 CA2 (0.67) CA2CA1CA12CA9CA14
SCHEMBL11419996 0.89 CA2 (0.67) CA2CA1CA12CA9CA14
SCHEMBL3158508 0.89 CA2 (0.67) CA2CA1CA12CA9CA14
SCHEMBL85535 0.87 MEN1 (0.64) CA2CA1CA12CA9CA14
SCHEMBL27713254 0.85 MEN1 (0.55) CA2CA1CA12CA9CA14
SCHEMBL19025562 0.84 MEN1 (0.62) CA2CA1CA12CA9CA14
Fluoride SCHEMBL27503363 0.84 MEN1 (0.62) CA2CA1CA12CA9CA14
SCHEMBL8311585 0.84 MEN1 (0.54) CA2CA1CA12CA9CA14
SCHEMBL11854911 0.83 CA1 (0.70) CA2CA1CA12CA9CA14
SCHEMBL10451887 0.83 CA1 (0.70) CA2CA1CA12CA9CA14

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-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
EP-3649110-B1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG UNIV DORTMUND TECH (DE) 2021-09-08 EP disclosed
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2021-08-03 US disclosed
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US disclosed
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US disclosed
EP-3649110-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT Technische Universität Dortmund (DE) 2020-05-13 EP disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2020-04-23 US disclosed
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-09-05 US disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
EP-0102476-B1 METHOD OF MODULATING THE IMMUNE RESPONSE SYSTEM IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1986-11-05 EP disclosed
US-4554381-A BORON TRIFLUORIDE, HYDROFLUORIC ACID RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-11-19 US disclosed
US-4532349-A 2-Amino-4'(phenylsulfonyl) acetanilides AMERICAN CYANAMID COMPANY (US) 1985-07-30 US disclosed
EP-0102476-A1 Method of modulating the immune response system in mammals AMERICAN CYANAMID COMPANY (US) 1984-03-14 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 (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-10647695-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 CA2 1644/4885CA1 2588/4885CA12 2172/4885
US-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TXNRD1, TXNRD3, TXNRD2 CA2 4076/4885CA1 4845/4885CA12 4858/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 CA2 1515/4885CA1 2843/4885CA12 2541/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 CA2 1644/4885CA1 2588/4885CA12 2172/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 CA2 1515/4885CA1 2843/4885CA12 2541/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CA2 1384/4885CA1 2998/4885CA12 2746/4885
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TXNRD3, TXNRD1, TXN CA2 4685/4885CA1 4867/4885CA12 4870/4885

“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.