SCHEMBL6708324

SCHEMBL6708324

CC(=O)c1ccc(-c2ccccc2F)cc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
MAPK14 Q16539 1/20 0.44
DHODH Q02127 4/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 2/20 0.41

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
SCHEMBL4074665 0.85 ACMSD (0.54) ACMSDALOX5APFEN1PTPRCPTPN1
SCHEMBL2645320 0.79 MAPK14 (0.54) CDC7MAPK14AKR1C3AKR1C2KMT2A
SCHEMBL9208056 0.78 ALDH1A1 (0.58) ALOX5APFEN1NPC1RAB9AKMT2A
SCHEMBL3097068 0.77 ACMSD (0.51) ACMSDALOX5APFEN1PTPRCPTPN1
SCHEMBL30418017 0.76 NPC1 (0.58) CDC7PTPRCPTPN1MAPK14NPC1
SCHEMBL2649506 0.76 NPC1 (0.58) CDC7PTPRCPTPN1MAPK14NPC1
SCHEMBL14934280 0.74
Bromide SCHEMBL28360787 0.73 ALDH1A1 (0.60) DHODHKMT2ANPSR1HTTALDH1A1
SCHEMBL2782196 0.73 ALDH1A1 (0.45) CDC7MAPK14AKR1C3AKR1C2HTT
SCHEMBL11435938 0.72 MAPT (0.53) ACMSDPTPN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2004-06-03 US disclosed
EP-0727998-B1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1306377-A2 Pyridyl-oxazoles and their use as cytokines inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2003-05-02 EP disclosed
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2002-11-14 US disclosed
US-6288062-B1 INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-11 US disclosed
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 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 (2 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-20040106793-A1 Oxazoles for treating cytokine mediated diseases IL2, IL17A, IL5 CDC7 857/4885ACMSD 1396/4885ALOX5AP 399/4885
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases IL17A, IL4I1, IL2 CDC7 1559/4885ACMSD 1484/4885ALOX5AP 153/4885

“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.