SCHEMBL2296973

SCHEMBL2296973

C[C@H](NCC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.46
ENPP3 O14638 5/20 0.46
ENPP1 P22413 5/20 0.46
ENPP2 Q13822 4/20 0.46
ALDH1A1 P00352 4/20 0.44
EGFR P00533 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
STS P08842 1/20 0.40

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
SCHEMBL2294632 1.00 ADAMTS4 (0.46) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2294630 1.00 ADAMTS4 (0.46) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2295640 0.93 ENPP2 (0.49) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2297311 0.93 ENPP2 (0.49) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2295636 0.93 ENPP2 (0.49) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2294139 0.88 APAF1 (0.43) ALDH1A1HSD11B1MEN1KMT2AAPAF1
SCHEMBL2296506 0.88 APAF1 (0.43) ALDH1A1HSD11B1MEN1KMT2AAPAF1
SCHEMBL2294142 0.88 APAF1 (0.43) ALDH1A1HSD11B1MEN1KMT2AAPAF1
SCHEMBL2296219 0.82 ENPP3 (0.52) ADAMTS4ENPP3ENPP1ENPP2ALDH1A1
SCHEMBL2294633 0.81 MAPT (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AAPAF1

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 ADAMTS4 3019/4885ENPP3 3522/4885ENPP1 1908/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADAMTS4 3019/4885ENPP3 3522/4885ENPP1 1908/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ADAMTS4 3019/4885ENPP3 3522/4885ENPP1 1908/4885

“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.