SCHEMBL2294324

SCHEMBL2294324

Cc1ccc(S(=O)(=O)Oc2ccc([C@H](O)CN(Cc3ccccc3)C(=O)CBr)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CNR2 P34972 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NR3C1 P04150 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.40
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2296979 1.00 PPARG (0.43) PPARGTRPM8CNR2LMNAALDH1A1
SCHEMBL2297773 0.93 TDP1 (0.39) ALDH1A1NR3C1HSP90AA1HSP90AB1PDK1
SCHEMBL2295179 0.93 TDP1 (0.39) ALDH1A1NR3C1HSP90AA1HSP90AB1PDK1
SCHEMBL2298495 0.90 YAP1 (0.43) PPARGTRPM8CNR2LMNAALDH1A1
SCHEMBL2297810 0.90 YAP1 (0.43) PPARGTRPM8CNR2LMNAALDH1A1
SCHEMBL2299149 0.86 MEN1 (0.40) PPARGTRPM8LMNAALDH1A1POLB
SCHEMBL2296532 0.86 MEN1 (0.40) PPARGTRPM8LMNAALDH1A1POLB
SCHEMBL2297338 0.83 YAP1 (0.44) LMNAALDH1A1NPSR1HSP90AA1HSP90AB1
SCHEMBL27731732 0.83 YAP1 (0.44) LMNAALDH1A1NPSR1HSP90AA1HSP90AB1
SCHEMBL2298889 0.83 YAP1 (0.44) LMNAALDH1A1NPSR1HSP90AA1HSP90AB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 PPARG 1923/4885TRPM8 2522/4885CNR2 4163/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 PPARG 1923/4885TRPM8 2522/4885CNR2 4163/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 PPARG 1923/4885TRPM8 2522/4885CNR2 4163/4885

“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.