SCHEMBL496729

SCHEMBL496729

O=S(=O)(O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.50
IDO1 P14902 2/20 0.44
CES2 O00748 2/20 0.43
ACP3 P15309 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MTOR P42345 2/20 0.39
DAO P14920 2/20 0.39
MLYCD O95822 1/20 0.38
KIF11 P52732 1/20 0.38
PPARG P37231 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL11860963 0.87 ACP1 (0.52) ACP1IDO1CES2ACP3CA1
SCHEMBL7127796 0.83 IDO1 (0.47) ACP1IDO1CES2RXRARXRB
SCHEMBL497366 0.82 ACP3 (0.57) IDO1CES2ACP3CA1CA2
SCHEMBL10478635 0.81 ACP3 (0.56) IDO1CES2ACP3CA1CA2
SCHEMBL2376293 0.79 IDO1 (0.44) ACP1IDO1CES2RXRARXRB
SCHEMBL2376297 0.79 IDO1 (0.44) ACP1IDO1CES2RXRARXRB
SCHEMBL4863519 0.79 KIF11 (0.59) ACP1IDO1CES2CA1CA2
SCHEMBL496716 0.79 KIF11 (0.59) IDO1CES2CA1CA2KIF11
SCHEMBL773148 0.79 IDO1 (0.44) ACP1IDO1CES2RXRARXRB
Hydrochloric Acid SCHEMBL28126261 0.78 KIF11 (0.58) IDO1CES2KIF11

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 14 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
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
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

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-20100069651-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL CNR2, CNR1, HRH4 ACP1 4698/4885IDO1 2033/4885CES2 688/4885
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol CNR2, CNR1, HRH4 ACP1 4698/4885IDO1 2033/4885CES2 688/4885
US-20110263878-A1 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL CNR2, CNR1, HRH4 ACP1 4698/4885IDO1 2033/4885CES2 688/4885

“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.