SCHEMBL3277623

SCHEMBL3277623

CCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
ALDH1A1 P00352 4/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
IDH2 P48735 1/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.51
MMP7 P09237 1/20 0.51
PTGES O14684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL8911647 0.94 TRPV1 (0.59) TRPV1CA1CA2MMP1MMP2
SCHEMBL9239964 0.94 TRPV1 (0.59) TRPV1CA1CA2MMP1MMP2
SCHEMBL8911186 0.94 TRPV1 (0.59) TRPV1CA1CA2MMP1MMP2
SCHEMBL15199080 0.87 ALDH1A1 (0.56) TRPV1ALDH1A1LMNATSHRKMT2A
SCHEMBL13753685 0.85 CA1 (0.64) TRPV1CA1CA2MMP1MMP2
SCHEMBL10630564 0.84 CA1 (0.52) TRPV1CA1CA2MMP1MMP2
SCHEMBL10628669 0.84 CA1 (0.52) TRPV1CA1CA2MMP1MMP2
SCHEMBL1148961 0.82 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL5183968 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL16508871 0.82 CA1 (0.59) CA1CA2MMP1ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111240-B Isolation of n-butylbenzenesulfonamide, synthesis of benzenesulfonamide derivatives, and use of n-butylbenzenesulfonamide and benzenesulfonamide derivatives for the treatment of benign prostate hyperp LOHMANN THERAPIE SYST LTS 2011-09-21 CN claimed
US-7700654-B2 Isolation of N-butylbenzenesulfonamide, synthesis of benzenesulfonamide derivatives, and use of N-butylbenzenesulfonamide and benzenesulfonamide derivatives for treating benign prostatic hyperplasia and/or prostate carcinoma LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2010-04-20 US claimed
US-7700654-B2 Isolation of N-butylbenzenesulfonamide, synthesis of benzenesulfonamide derivatives, and use of N-butylbenzenesulfonamide and benzenesulfonamide derivatives for treating benign prostatic hyperplasia and/or prostate carcinoma LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2010-04-20 US disclosed
US-20080177107-A1 Isolation of N-Butylbenzenesulfonamide, Synthesis of Benzenesulfonamide Derivatives, and Use of N-Butylbenzenesulfonamide and Benzenesulfonamide Derivatives for Treating Benign Prostatic Hyperplasia and/or Prostate Carcinoma LTS LOHMANN THERAPIE-SYSTEME (DE) 2008-07-24 US disclosed
US-20080177107-A1 Isolation of N-Butylbenzenesulfonamide, Synthesis of Benzenesulfonamide Derivatives, and Use of N-Butylbenzenesulfonamide and Benzenesulfonamide Derivatives for Treating Benign Prostatic Hyperplasia and/or Prostate Carcinoma LTS LOHMANN THERAPIE-SYSTEME (DE) 2008-07-24 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 (1 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-20080177107-A1 Isolation of N-Butylbenzenesulfonamide, Synthesis of Benzenesulfonamide Derivatives, and Use of N-Butylbenzenesulfonamide and Benzenesulfonamide Derivatives for Treating Benign Prostatic Hyperplasia and/or Prostate Carcinoma BPHL, BRDT, NBAS TRPV1 1315/4885CA1 1737/4885CA2 977/4885

“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.