SCHEMBL4662993

SCHEMBL4662993

O=S(=O)(NCc1ccccc1Cl)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.61
KEAP1 Q14145 1/20 0.59
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.53
MCL1 Q07820 1/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL29660878 1.00 POLB (0.70) POLBALDH1A1HPGDMAPK1KEAP1
SCHEMBL12793683 0.87 POLB (0.72) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL5960083 0.87 KMT2A (0.72) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL28113175 0.87 POLB (0.68) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL29540801 0.87 KEAP1 (0.70) POLBALDH1A1HPGDKEAP1KMT2A
SCHEMBL11728730 0.82 ALDH1A1 (0.65) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL5598318 0.81 POLB (0.60) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL12792956 0.80 MEN1 (0.60) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL10782659 0.79 KEAP1 (0.59) ALDH1A1KEAP1KMT2AMEN1MCL1
SCHEMBL4661660 0.79 MEN1 (0.81) POLBALDH1A1HPGDKEAP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645852-B Synthesis method for catalyzing reduction of imine into amine 赣南医学院 2022-06-14 CN disclosed
CN-112645852-A Synthesis method for catalyzing reduction of imine into amine 赣南医学院 2021-04-13 CN disclosed
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed
US-7049468-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-23 US disclosed
EP-1453470-A4 MODULATORS OF RHO C ACTIVITY ICONIX PHARM INC (US) 2006-05-17 EP disclosed
EP-1453470-A1 MODULATORS OF RHO C ACTIVITY Iconix Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043578-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 WO 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 (1 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-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: RHOC, RHOA, ROCK1 POLB 2202/4885ALDH1A1 1730/4885HPGD 521/4885

“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.