SCHEMBL4055657

SCHEMBL4055657

COc1ccc(-c2cnc(COS(C)(=O)=O)cn2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
EPHX2 P34913 3/20 0.36
NFE2L2 Q16236 4/20 0.36
CRHR1 P34998 2/20 0.36
LIMK2 P53671 1/20 0.36
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 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
SCHEMBL4059345 0.81 PDE10A (0.41) LIMK1ALOX5APFEN1EPHX2CRHR1
SCHEMBL4050597 0.80 EPHX2 (0.40) LIMK1EPHX2NFE2L2CRHR1LIMK2
SCHEMBL2599089 0.73 LIMK1 (0.38) LIMK1EPHX2CRHR1LIMK2ALDH1A1
SCHEMBL4056620 0.73 LIMK1 (0.45) LIMK1EPHX2LIMK2KDM4ESMN1; SMN2
SCHEMBL4057442 0.72 LIMK1 (0.44) LIMK1EPHX2CRHR1LIMK2KDM4E
SCHEMBL18326358 0.71 APLNR (0.40) NFE2L2
SCHEMBL4051071 0.70 ALOX5AP (0.41) ALOX5APFEN1
SCHEMBL27315812 0.70 KCNH2 (0.33) KDM4ESMN1; SMN2NPSR1
SCHEMBL4056368 0.69 PDK2 (0.41) LIMK1ALOX5APFEN1KDM4EALDH1A1
SCHEMBL3717880 0.68 ACACB (0.38) LIMK1ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 LIMK1 2767/4885ALOX5AP 2793/4885FEN1 2117/4885

“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.