Sugi Predict

Sugi Predict / Compounds / SCHEMBL496751

SCHEMBL496751

SCHEMBL496751

O=[N+]([O-])c1cccc(CS(=O)(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ CA2 P00918 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ 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
▸ CA5A P35218 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
Hydrochloric Acid SCHEMBL27821527 0.98 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
SCHEMBL8870409 0.98 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL27546324 0.90 TSHR (0.57) TSHRLMNAKMT2AGAAHTT
SCHEMBL7131786 0.87 TSHR (0.62) TSHRLMNAKMT2AGAAHTT
SCHEMBL20545986 0.85 TSHR (0.56) TSHRLMNAKMT2AGAAHTT
Tetrabuthylammonium SCHEMBL8871390 0.85 TSHR (0.46) TSHRLMNAKMT2AHTTALDH1A1
SCHEMBL31435656 0.84 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
SCHEMBL8870399 0.84 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
SCHEMBL2999354 0.84 TSHR (0.59) TSHRLMNAKMT2AGAAHTT
SCHEMBL1016551 0.84 TSHR (0.59) TSHRLMNAKMT2AGAAHTT

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
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 — — CN claimed
EP-2578577-A1 Sulfonyl esters of tetrahydrocannabinol and derivatives thereof Albany Molecular Research, Inc. (US) 2013-04-10 — — EP claimed
US-7674922-B2 Process for production of delta-9-tetrahydrocannabinol ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-09 — — US claimed
EP-1928853-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR Technology, Inc. (US) 2008-06-11 — — EP claimed
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol AMR TECHNOLOGY, INC. (US) 2007-04-26 — — US claimed
WO-2007041167-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR TECHNOLOGY, INC. (US) 2007-04-12 — — WO claimed
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 — — CN disclosed
EP-2578577-A1 Sulfonyl esters of tetrahydrocannabinol and derivatives thereof Albany Molecular Research, Inc. (US) 2013-04-10 — — EP disclosed
EP-2578561-A1 Processes for the production of cannabidiol derivatives and intermediates thereof Albany Molecular Research, Inc. (US) 2013-04-10 — — EP disclosed
US-8106244-B2 Process for production of delta-9-tetrahydrocannabinol ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-31 — — US disclosed
US-20110263878-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL ALBANY MOLECULAR RESEARCH, INC. (US) 2011-10-27 — — US disclosed
EP-1632535-B1 Liquid formulations of direct dyes BASF SE (DE) 2010-12-29 — — EP disclosed
EP-1548069-B1 Liquid formulations of direct dyes BASF SE (DE) 2010-08-04 — — EP disclosed
EP-1548069-A1 Liquid formulations of direct dyes BASF AG (DE) 2005-06-29 — — EP disclosed
US-20050132510-A1 Liquid formulations of direct dyes BASF AKIENGESELLSCHAFT (DE) 2005-06-23 — — US disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
US-5563136-A ADMINISTERING FOR GASTROINTESTINAL OR NERVOUS SYSTEM DISORDERS CONNECTED WITH CHOLECYSTOKININ AND GASTRIN RHONE-POULENC RORER S.A. (FR) 1996-10-08 — — US disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — US disclosed
US-4415574-A BACTERICIDES; MEDICINES; POTENTIATION OF SULFA DRUGS S. A. PANMEDICA (FR) 1983-11-15 — — US disclosed
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 — — 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 (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-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol CNR2, CNR1, HRH4 TSHR 369/4885LMNA 3504/4885KMT2A 2043/4885
US-20110263878-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL CNR2, CNR1, HRH4 TSHR 369/4885LMNA 3504/4885KMT2A 2043/4885

“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.