SCHEMBL497366

SCHEMBL497366

O=S(=O)(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.57
AKR1B1 P15121 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
IDO1 P14902 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
EPHX1 P07099 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL10478635 0.98 ACP3 (0.56) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL27450225 0.87 GAA (0.56) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL68245 0.84 AKR1B1 (0.52) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL4879814 0.84 KIF11 (0.57) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL10478630 0.84 AKR1B1 (0.56) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL31021484 0.84 KIF11 (0.57) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL2377114 0.84 HTR2A (0.53) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL2377109 0.84 AKR1B1 (0.52) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL16914857 0.83 CA1 (0.56) ACP3AKR1B1TAAR1IDO1LMNA
SCHEMBL496729 0.82 ACP1 (0.50) ACP3AKR1B1IDO1CA1CA2

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 17 patents. 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
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 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
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 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
US-20100069651-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-18 US disclosed
US-7674922-B2 Process for production of delta-9-tetrahydrocannabinol ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-09 US disclosed
EP-1928853-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR Technology, Inc. (US) 2008-06-11 EP disclosed
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol AMR TECHNOLOGY, INC. (US) 2007-04-26 US disclosed
WO-2007041167-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR TECHNOLOGY, INC. (US) 2007-04-12 WO disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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 (4 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 ACP3 4272/4885AKR1B1 1327/4885TAAR1 2330/4885
US-20100069651-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL CNR2, CNR1, HRH4 ACP3 4795/4885AKR1B1 3691/4885TAAR1 514/4885
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol CNR2, CNR1, HRH4 ACP3 4795/4885AKR1B1 3691/4885TAAR1 514/4885
US-20110263878-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL CNR2, CNR1, HRH4 ACP3 4795/4885AKR1B1 3691/4885TAAR1 514/4885

“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.