SCHEMBL4061114

SCHEMBL4061114

Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
TGFBR1 P36897 1/20 0.34
CXCR2 P25025 2/20 0.33
HSD11B1 P28845 1/20 0.33
ESR2 Q92731 1/20 0.32
CXCR1 P25024 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL27290416 0.83 KDM4E (0.36) CA1CA2KDM4EL3MBTL1DRD2
SCHEMBL18188355 0.83 S1PR4 (0.38) S1PR4KMT2ACA1CA2KDM4E
SCHEMBL6633594 0.83 CA1 (0.36) CA1CA2DRD2DRD3DRD1
SCHEMBL17440325 0.82 KDM4E (0.43) S1PR4MEN1KMT2AKDM4EDRD2
SCHEMBL12813572 0.82 GPR119 (0.42)
SCHEMBL15492954 0.81 CA1 (0.32) CA1CA2DRD2DRD3DRD1
SCHEMBL29397474 0.79 S1PR4 (0.49) S1PR4MEN1KMT2A
SCHEMBL4050738 0.79 S1PR4 (0.49) S1PR4MEN1KMT2A
SCHEMBL2880729 0.77 CYBB (0.33) S1PR4KMT2ACA1CA2KDM4E
SCHEMBL431316 0.76 ALDH1A1 (0.43) MEN1KMT2ADRD2DRD3DRD1

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 S1PR4 3569/4885MEN1 3857/4885KMT2A 4655/4885

“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.