SCHEMBL2291122

SCHEMBL2291122

CC(C)(C)NC[C@@H](O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HIF1A Q16665 3/20 0.51
CASP7 P55210 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.50
ADRB2 P07550 4/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2D6 P10635 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2299362 1.00 LMNA (0.51) LMNAHIF1ACASP7KMT2AKDM4E
SCHEMBL2295448 0.83 KDM4E (0.54) LMNAHIF1AKMT2AKDM4ESMN1; SMN2
SCHEMBL2294012 0.83 KDM4E (0.54) LMNAHIF1AKMT2AKDM4ESMN1; SMN2
SCHEMBL2294894 0.82 SMN1; SMN2 (0.46) LMNAHIF1ACASP7KMT2AKDM4E
SCHEMBL2294788 0.82 SMN1; SMN2 (0.46) LMNAHIF1ACASP7KMT2AKDM4E
SCHEMBL2298991 0.81 ENPP1 (0.48) LMNAHIF1ACASP7KMT2AKDM4E
SCHEMBL2296520 0.81 ENPP1 (0.48) LMNAHIF1ACASP7KMT2AKDM4E
SCHEMBL2291778 0.81 LMNA (0.44) LMNAHIF1AKMT2AKDM4ESMN1; SMN2
SCHEMBL2290249 0.81 LMNA (0.44) LMNAHIF1AKMT2AKDM4ESMN1; SMN2
SCHEMBL27711192 0.81 LMNA (0.44) LMNAHIF1AKMT2AKDM4ESMN1; 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 LMNA 3268/4885HIF1A 3653/4885CASP7 2364/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885HIF1A 3653/4885CASP7 2364/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885HIF1A 3653/4885CASP7 2364/4885

“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.