SCHEMBL496740

SCHEMBL496740

O=C1c2ccccc2C(=O)N1CCS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.53
CASP3 P42574 2/20 0.50
CA9 Q16790 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA12 O43570 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6284185 0.98 GLS (0.52) GLSCASP3CA9CA1CA2
Potassium SCHEMBL6284198 0.98 GLS (0.52) GLSCASP3CA9CA1CA2
SCHEMBL918303 0.89 TDP1 (0.51) SMN1; SMN2RAB9ATDP1L3MBTL1MAPT
SCHEMBL5372797 0.88 CA9 (0.42) GLSCASP3CA9CA1CA2
SCHEMBL2284215 0.87 TDP1 (0.50) SMN1; SMN2RAB9ATDP1L3MBTL1MAPT
SCHEMBL2169798 0.87 TDP1 (0.54) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL3670226 0.87 TDP1 (0.50) SMN1; SMN2RAB9ATDP1L3MBTL1MAPT
SCHEMBL17122199 0.86 TDP1 (0.57) SMN1; SMN2TDP1L3MBTL1HDAC8HPGD
SCHEMBL5794366 0.86 TDP1 (0.57) SMN1; SMN2TDP1L3MBTL1HDAC8HPGD
SCHEMBL19900766 0.86 TDP1 (0.57) SMN1; SMN2TDP1L3MBTL1HDAC8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9904167-B2 Compound, active light sensitive or radiation sensitive resin composition, resist film using same, resist-coated mask blank, photomask, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-04-28 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 US disclosed
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 WO disclosed
EP-0106123-B1 NOVEL N-NITROSO COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AB LEO (SE) 1986-01-02 EP disclosed
EP-0106123-A1 Novel N-nitroso compounds, compositions containing such compounds and processes for their preparation AB LEO (SE) 1984-04-25 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 (6 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 GLS 1374/4885CASP3 800/4885CA9 4379/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 GLS 2585/4885CASP3 1365/4885CA9 169/4885
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE CHRM1, ESR1, RER1 GLS 4821/4885CASP3 4276/4885CA9 4011/4885
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol CNR2, CNR1, HRH4 GLS 4406/4885CASP3 3049/4885CA9 147/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 GLS 1374/4885CASP3 800/4885CA9 4379/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX GLS 266/4885CASP3 1202/4885CA9 2988/4885

“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.