SCHEMBL7552185

SCHEMBL7552185

O=C(Nc1ccccc1Br)Nc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
IDH1 O75874 1/20 0.52
CYP2C9 P11712 1/20 0.49
S100A9 P06702 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
CXCR2 P25025 3/20 0.47
CXCR1 P25024 2/20 0.46
GRIK1 P39086 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK6 Q00534 1/20 0.45
HTT P42858 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 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
SCHEMBL7593518 0.83 ACLY (0.61) ACLYCYP2C9S100A9TDP1CDK1
SCHEMBL7951681 0.81 PTGES2 (0.59) ACLYIDH1CXCR2CXCR1GRIK1
SCHEMBL7589357 0.79 S100A9 (0.57) ACLYCYP2C9S100A9TDP1CDK1
SCHEMBL27500466 0.79 ACLY (0.48) ACLYIDH1CYP2C9S100A9TDP1
SCHEMBL5595166 0.75 MCL1 (0.54) IDH1GRIK1HTTMEN1KMT2A
SCHEMBL7569703 0.74 ACLY (0.52) ACLYCYP2C9S100A9TDP1CDK1
SCHEMBL5594952 0.73 MEN1 (0.60) IDH1HTTMEN1KMT2ALMNA
SCHEMBL7557478 0.73 CXCR2 (0.53) IDH1CXCR2CXCR1GRIK1HTT
SCHEMBL5595863 0.72 MEN1 (0.49) ACLYIDH1CXCR2CXCR1HTT
SCHEMBL7494404 0.71 POLB (0.51) IDH1CXCR2CXCR1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN ACLY 4691/4885IDH1 4570/4885CYP2C9 3151/4885

“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.