SCHEMBL6420342

SCHEMBL6420342

O=C(O)C(=CNCCO)C(=O)c1cc(I)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 2/20 0.35
MAP2K1 Q02750 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL6420333 1.00 MAP2K2 (0.35) MAP2K2MAP2K1CES2CES1
SCHEMBL6420326 1.00 MAP2K2 (0.35) MAP2K2MAP2K1CES2CES1
SCHEMBL1043784 0.84 CYP2D6 (0.38) MAP2K2MAP2K1
SCHEMBL1043783 0.84 CYP2D6 (0.38) MAP2K2MAP2K1
SCHEMBL11956098 0.82 MAP2K1 (0.37) MAP2K2MAP2K1CES2CES1
SCHEMBL7055982 0.81 CES2 (0.33) CES2CES1
SCHEMBL7055978 0.81 CES2 (0.33) CES2CES1
SCHEMBL4173119 0.79 CES2 (0.32) MAP2K1CES2CES1
SCHEMBL4173114 0.79 CES2 (0.32) MAP2K1CES2CES1
SCHEMBL25373513 0.78 CES2 (0.32) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359917-B1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP disclosed
US-6821969-B2 FOR THERAPY AND PROPHYLAXIS OF HERPESVIRAL INFECTION PHARMACIA & UPJOHN COMPANY 2004-11-23 US disclosed
EP-1359917-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-11-12 EP disclosed
EP-1220858-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2003-11-05 EP disclosed
US-20020143013-A1 Thioxazinoquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-10-03 US disclosed
WO-2002064145-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-22 WO disclosed
EP-1220858-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-07-10 EP disclosed
US-6340680-B1 AS ANTIVIRAL AGENTS, AGAINST VIRUSES OF HERPES FAMILY PHARMACIA AND UPJOHN COMPANY 2002-01-22 US disclosed
WO-2001025239-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-04-12 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-20020143013-A1 Thioxazinoquinolones as antiviral agents DDX5, IRF3, ZC3HAV1 MAP2K2 4613/4885MAP2K1 4605/4885CES2 2411/4885

“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.