SCHEMBL4921609

SCHEMBL4921609

Cc1ccc(S(=O)(=O)OCC2CN(C(C)C)C(=O)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR2B P41595 1/20 0.41
GRM2 Q14416 4/20 0.41
CYP1A2 P05177 1/20 0.37
VDR P11473 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
GBA1 P04062 1/20 0.33

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
SCHEMBL4953038 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL7911772 0.89 HTR2B (0.50) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL14173675 0.88 HTR2B (0.40) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL14168285 0.86 PRMT5 (0.45) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL14168148 0.86 PRMT5 (0.45) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL6978928 0.84 LMNA (0.44) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL17824144 0.83 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL17823617 0.83 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL10600802 0.83 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL11160325 0.81 GRM2 (0.62) MAPK1HTR2BGRM2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58194844-A None JP disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
EP-1578723-A4 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF UNIV MICHIGAN STATE (US) 2006-11-02 EP disclosed
US-7067532-B2 Substituted quinolines as antitumor agents ASTRAZENECA (SE) 2006-06-27 US disclosed
EP-1578723-A3 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-10-20 EP disclosed
EP-1578723-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-09-28 EP disclosed
US-20040029898-A1 Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2004-02-12 US disclosed
WO-2003106413-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-24 WO disclosed
EP-1337524-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002044166-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-06-06 WO disclosed
JP-S58194844-A IMPROVED PRODUCTION METHOD FOR 1-(O-ALLYLOXYPHENOXY)-2- HYDROXY-3-ISOPROPYLAMINOPROPANE MARUKO SEIYAKU KK 1983-11-12 JP 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 (4 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 CYP2D6 164/4885ALDH1A1 2186/4885CYP3A4 137/4885
US-20070021407-A1 Substituted quinolines as antitumor agents NR1H3, NR1H2, NR0B1 CYP2D6 492/4885ALDH1A1 3767/4885CYP3A4 576/4885
US-20040029898-A1 Substituted quinolines as antitumor agents NQO2, NQO1, TP53 CYP2D6 91/4885ALDH1A1 266/4885CYP3A4 134/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 CYP2D6 16/4885ALDH1A1 1117/4885CYP3A4 12/4885

“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.