SCHEMBL2769423

SCHEMBL2769423

COC[C@@H]1CCCN1NS(=O)(=O)c1c(Cl)ccc(NC(=S)Nc2ccccc2)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RORC P51449 1/20 0.32
LMNA P02545 1/20 0.32
NAMPT P43490 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR2 Q969V1 1/20 0.31
MCHR1 Q99705 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2768431 0.92 CASP3 (0.33) ALDH1A1CASP3CASP7RORCLMNA
SCHEMBL2768551 0.92 CASP3 (0.33) ALDH1A1CASP3CASP7RORCLMNA
SCHEMBL2768554 0.92 CASP3 (0.33) ALDH1A1CASP3CASP7RORCLMNA
SCHEMBL2769795 0.91 CXCR2 (0.36) ALDH1A1CASP3CASP7RORCMEN1
SCHEMBL2769797 0.91 CXCR2 (0.36) ALDH1A1CASP3CASP7RORCMEN1
SCHEMBL2770412 0.91 CXCR2 (0.36) ALDH1A1CASP3CASP7RORCMEN1
SCHEMBL6141260 0.89 CASP3 (0.35) CASP3CASP7RORC
SCHEMBL2768886 0.85 ALDH1A1 (0.41) ALDH1A1MAPTRORCLMNAKMT2A
SCHEMBL2801981 0.79 CASP3 (0.34) CASP3CASP7RORC
SCHEMBL6140719 0.79 CASP3 (0.32) CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272175-B1 N,N'-DIARYL GUANIDINES AS IL-8 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-04-21 EP disclosed
US-6680317-B2 N-(PHENYL)-N*-(2-HYDROXY-3-AMINOSULFONYLPHENYL)GUANIDINE DERIVATIVES; CHEMOKINE INHIBITORS; RESPIRATORY, CARDIOVASCULAR, RHEUMATIC, BRAIN, AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-01-20 US disclosed
US-20030216375-A1 Il-8 receptor anatagonists GLAXOSMITHKLINE LLC 2003-11-20 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-20030216375-A1 Il-8 receptor anatagonists CXCL8, CCR8, IL1R1 ALDH1A1 1275/4885CASP3 2136/4885CASP7 722/4885

“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.