SCHEMBL2294875

SCHEMBL2294875

CCNC[C@@H](O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
DHODH Q02127 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 4/20 0.40
HIF1A Q16665 1/20 0.40
GALR3 O60755 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2291484 1.00 ALDH1A1 (0.44) ALDH1A1DHODHMAPTLMNAHIF1A
SCHEMBL2294975 0.86 ALDH1A1 (0.43) ALDH1A1DHODHMAPTLMNAHIF1A
SCHEMBL2297840 0.86 ALDH1A1 (0.43) ALDH1A1DHODHMAPTLMNAHIF1A
SCHEMBL2294985 0.86 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2295374 0.86 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2296986 0.85 ALDH1A1 (0.46) ALDH1A1DHODHMAPTLMNASMN1; SMN2
SCHEMBL2296924 0.85 ALDH1A1 (0.46) ALDH1A1DHODHMAPTLMNASMN1; SMN2
SCHEMBL2295327 0.84 ADRB2 (0.46) ALDH1A1SMN1; SMN2GAATDP1ADRB3
SCHEMBL2291821 0.84 ADRB2 (0.46) ALDH1A1SMN1; SMN2GAATDP1ADRB3
SCHEMBL2294900 0.83 ADRB2 (0.51) ALDH1A1MAPTLMNAHIF1ASMN1; SMN2

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 ALDH1A1 1251/4885DHODH 1625/4885MAPT 1/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885DHODH 1625/4885MAPT 1/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885DHODH 1625/4885MAPT 1/4885

“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.