SCHEMBL4589706

SCHEMBL4589706

CCN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 4/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
VCAM1 P19320 1/20 0.60
MAPT P10636 5/20 0.59
MEN1 O00255 3/20 0.59
MAPK1 P28482 2/20 0.59
CA2 P00918 2/20 0.58
CA5A P35218 1/20 0.58
MMP1 P03956 2/20 0.55
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
MMP13 P45452 2/20 0.55
CA1 P00915 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL6024973 0.93 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL8247534 0.88 VCAM1 (0.59) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL11174733 0.86 KMT2A (0.57) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL4589703 0.84 KMT2A (0.54) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL854501 0.83 KMT2A (0.66) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL30213213 0.83 KMT2A (0.66) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL10495990 0.83 VCAM1 (0.60) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL5461742 0.83 LMNA (0.65) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL2876686 0.81 KMT2A (0.68) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL7650160 0.81 HTT (0.66) SMN1; SMN2ALDH1A1KMT2AHTTVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271918-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-31 US disclosed
US-20230271918-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-31 US disclosed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
EP-0303415-B1 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LTD (JP) 1994-11-30 EP disclosed
US-5205855-A Postemergence, preemergence herbicides SUNTORY LIMITED (JP) 1993-04-27 US disclosed
US-4976773-A SELECTIVITY BETWEEN MONOCOYLEDON PLANTS SUNTORY LIMITED (JP) 1990-12-11 US disclosed
EP-0303415-A2 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LIMITED (JP) 1989-02-15 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 (5 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-20230271918-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP30, USP1 SMN1; SMN2 2091/4885ALDH1A1 1387/4885TSHR 4780/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885ALDH1A1 465/4885TSHR 4777/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 SMN1; SMN2 4250/4885ALDH1A1 1361/4885TSHR 1639/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES SMN1; SMN2 4729/4885ALDH1A1 465/4885TSHR 4777/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 SMN1; SMN2 4648/4885ALDH1A1 306/4885TSHR 3534/4885

“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.