SCHEMBL4662845

SCHEMBL4662845

O=S(=O)(NCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.76
CA12 O43570 2/20 0.68
CA9 Q16790 2/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CYP19A1 P11511 1/20 0.68
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
SLC12A2 P55011 1/20 0.58

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
SCHEMBL8789480 0.93 CYP19A1 (0.78) KEAP1CA12CA9CA1CA2
SCHEMBL407414 0.87 KEAP1 (1.00) KEAP1CA12CA9CA1CA2
SCHEMBL19358847 0.86 CXCR4 (0.77) KEAP1ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3516799 0.85 KEAP1 (0.96) KEAP1CA12CA9CA1CA2
SCHEMBL6140309 0.85 KEAP1 (0.55) KEAP1CA12CA9CA1CA2
SCHEMBL5960116 0.83 MEN1 (0.73) CA12CA9CYP19A1ALDH1A1MAPK1
SCHEMBL6271065 0.83 ALDH1A1 (0.66) KEAP1CA12CA9CA1CA2
SCHEMBL19554432 0.83 ALDH1A1 (0.66) KEAP1CA12CA9CA1CA2
SCHEMBL20946438 0.83 CYP19A1 (0.69) KEAP1CA12CA9CA1CA2
SCHEMBL1287434 0.83 ALDH1A1 (0.70) CA12CA9CYP19A1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724765-A Method for preparing sulfonamide derivative by using low-cost metal catalysis 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-10-01 CN disclosed
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
US-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 US 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 (2 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 KEAP1 541/4885CA12 4463/4885CA9 2002/4885
US-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 KEAP1 921/4885CA12 2807/4885CA9 1134/4885

“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.