Sugi Predict

Sugi Predict / Compounds / SCHEMBL532533

SCHEMBL532533

SCHEMBL532533

O=S(=O)(c1ccccc1)N(C1CCNCC1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ HTR6 P50406 7/20 0.42
▸ SLC6A3 Q01959 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ SLC18A3 Q16572 1/20 0.40
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL3561054 0.83 HTR2C (0.46) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL231306 0.83 HTR2A (0.46) ALDH1A1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL3485485 0.82 HTR2C (0.50) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL3485433 0.82 HTR2C (0.50) HTR2AHTR2CSLC6A2SLC6A4HTR6
SCHEMBL3486045 0.82 HTR2C (0.51) KMT2AHTR2AHTR2CSLC6A2SLC6A4
SCHEMBL3485687 0.81 ALDH1A1 (0.71) KDM4EMEN1ALDH1A1KMT2AHTR2A
SCHEMBL8349997 0.80 ALDH1A1 (0.69) KDM4EMEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL9785714 0.80 ESR1 (0.58) KDM4EMEN1ALDH1A1KMT2AHTR2A
Hydrochloric Acid SCHEMBL27714396 0.80 ALDH1A1 (0.69) KDM4EMEN1ALDH1A1KMT2AHTR2A
SCHEMBL3485825 0.79 CACNA1B (0.55) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290816-A1 BENZOMORPHAN ANALOGS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2017-10-12 — — US disclosed
US-20170290816-A1 BENZOMORPHAN ANALOGS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2017-10-12 — — US disclosed
WO-2016044546-A1 BENZOMORPHAN ANALOGS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2016-03-24 — — WO disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 — — US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 — — US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 — — US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 — — US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 — — US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 — — US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 — — US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 — — US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 — — US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 — — WO disclosed
CN-101044116-A 4-phenylsulfonamidopiperidines as calcium channel blockers EURO CELTIQUE SA (LU) 2007-09-26 — — CN disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — US disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 — — EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 — — WO disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 — — WO 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 (3 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 KDM4E 4390/4885MEN1 4508/4885ALDH1A1 2775/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 KDM4E 3597/4885MEN1 717/4885ALDH1A1 1818/4885
US-20170290816-A1 BENZOMORPHAN ANALOGS AND THE USE THEREOF OPRL1, OPRK1, OPRD1 KDM4E 663/4885MEN1 4817/4885ALDH1A1 648/4885

“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.