SCHEMBL5595068

SCHEMBL5595068

O=C(Nc1c(Cl)cc(Cl)cc1Cl)Nc1c(Cl)cc(Cl)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
ALDH1A1 P00352 4/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
DHODH Q02127 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5950237 0.90 DHODH (0.57) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL5950625 0.85 GRIK1 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1CA1
SCHEMBL8530875 0.84 KDM4E (0.56) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL5950385 0.82 SLC2A1 (0.62) ALDH1A1CA2TP53TSHRSMN1; SMN2
SCHEMBL5950249 0.81 GRIK1 (0.49) CA1CA2CA12CA9RAB9A
SCHEMBL28091444 0.80 AKR1C4 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL28794509 0.79 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL5950453 0.78 KDR (0.68) CA1CA2CA9
SCHEMBL5950206 0.77 XPO1 (0.47) MEN1MAPTKMT2ADHODHGRIK1
SCHEMBL5950012 0.77 KDR (0.56) CA1CA2CA9GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
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
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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 (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 AKR1C4 817/4885AKR1C3 872/4885AKR1C2 1087/4885

“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.