SCHEMBL4547538

SCHEMBL4547538

COC(=O)c1sccc1N(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 2/20 0.46
KEAP1 Q14145 1/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
GBA1 P04062 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL27999989 0.84 KMT2A (0.44) GAANPSR1ALDH1A1MAPTHTT
SCHEMBL2748238 0.84 CYP2C9 (0.46) GAANPSR1ALDH1A1MAPTHTT
SCHEMBL6285884 0.81 KMT2A (0.56) ALDH1A1MAPTKMT2AKDM4EL3MBTL1
SCHEMBL25221412 0.78 GAA (0.76) GAANPSR1ALDH1A1MAPTHTT
SCHEMBL3656942 0.76 POLB (0.42) ALDH1A1MAPTKMT2AKDM4EL3MBTL1
SCHEMBL6561278 0.74 MMP9 (0.61) NPSR1ALDH1A1MAPTKMT2AKEAP1
SCHEMBL532885 0.73 LMNA (0.78) NPSR1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL2157960 0.73 SLC10A6 (0.45) ALDH1A1HTTKMT2AL3MBTL1LMNA
SCHEMBL5324436 0.72 L3MBTL1 (0.62) GAANPSR1ALDH1A1MAPTHTT
SCHEMBL7683091 0.72 GAA (0.57) GAANPSR1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 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 (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-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 GAA 2470/4885NPSR1 220/4885ALDH1A1 1580/4885

“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.