SCHEMBL2293504

SCHEMBL2293504

CCN1C[C@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)OCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PARL Q9H300 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ENPP3 O14638 3/20 0.36
ENPP1 P22413 3/20 0.36
ENPP2 Q13822 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2294155 1.00 MAOB (0.41) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2297492 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMAPTENPP3
SCHEMBL2295884 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMAPTENPP3
SCHEMBL2296066 0.88 TDP1 (0.42) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2293903 0.88 TDP1 (0.42) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2295345 0.86 TSHR (0.40) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2291649 0.86 MAOB (0.39) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2298064 0.86 MAOB (0.39) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2296480 0.86 TSHR (0.40) MAOBALDH1A1NPC1RAB9ATDP1
SCHEMBL2291582 0.86 KMT2A (0.43) ALDH1A1GAAMAPT

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 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAOB 653/4885ALDH1A1 1251/4885NPC1 1685/4885

“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.