SCHEMBL645178

SCHEMBL645178

CN(c1ccccc1CC(=O)O)S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ADRB2 P07550 1/20 0.46
RECQL P46063 1/20 0.46
PRSS1 P07477 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
SPPL2A Q8TCT8 3/20 0.42
MAPT P10636 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42

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
SCHEMBL14033416 0.88 KMT2A (0.44) KMT2AKDM4EMEN1ADRB2RECQL
SCHEMBL644106 0.87 KMT2A (0.48) KMT2AKDM4EMEN1ADRB2RECQL
SCHEMBL645509 0.81 TDP1 (0.58) KMT2AKDM4EMEN1ADRB2RECQL
SCHEMBL14033827 0.80 KMT2A (0.46) KMT2AKDM4EMEN1ADRB2RECQL
SCHEMBL493681 0.80 KMT2A (0.50) KMT2AKDM4EPRSS1ALDH1A1PTGDR2
SCHEMBL643844 0.75 KMT2A (0.59) KMT2AKDM4EMEN1ALDH1A1ALPL
SCHEMBL11441119 0.73 HSD11B1 (0.67) KMT2AKDM4EMEN1PRSS1ALDH1A1
SCHEMBL10123705 0.72 CXCL8 (0.49)
SCHEMBL14033453 0.71 KMT2A (0.46) KMT2AKDM4EMEN1PRSS1ALDH1A1
SCHEMBL2558366 0.70 AKR1B1 (0.55) KDM4EALDH1A1MAPT

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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 (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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KMT2A 2577/4885KDM4E 2875/4885MEN1 4243/4885

“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.