SCHEMBL2296980

SCHEMBL2296980

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
APAF1 O14727 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PARP1 P09874 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
NPC1 O15118 2/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL2294633 1.00 MAPT (0.50) MAPTALDH1A1HPGDAPAF1KMT2A
SCHEMBL2296224 0.83 MAPT (0.56) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2294630 0.81 ADAMTS4 (0.46) ALDH1A1APAF1KMT2AMEN1NPC1
SCHEMBL2294632 0.81 ADAMTS4 (0.46) ALDH1A1APAF1KMT2AMEN1NPC1
SCHEMBL2296973 0.81 ADAMTS4 (0.46) ALDH1A1APAF1KMT2AMEN1NPC1
SCHEMBL2294211 0.81 MAPT (0.53) MAPTALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL2295363 0.80 MAPT (0.52) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2293118 0.77 MAPT (0.52) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL2291993 0.77 APAF1 (0.45) MAPTALDH1A1APAF1KMT2AMEN1
SCHEMBL2294322 0.77 APAF1 (0.45) MAPTALDH1A1APAF1KMT2AMEN1

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 MAPT 1/4885ALDH1A1 1251/4885HPGD 3024/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885ALDH1A1 1251/4885HPGD 3024/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885ALDH1A1 1251/4885HPGD 3024/4885

“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.