SCHEMBL4053741

SCHEMBL4053741

CS(=O)(=O)OCc1cccc(-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
ABHD6 Q9BV23 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MGLL Q99685 1/20 0.43
AGXT P21549 3/20 0.42
LSS P48449 1/20 0.42
KIF11 P52732 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
AURKA O14965 1/20 0.41
FFAR1 O14842 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL8063113 0.80 CA2 (0.45) AGXTCYP3A4CYP19A1
SCHEMBL9052675 0.79 PRMT6 (0.55) PRMT6AGXT
SCHEMBL18885245 0.79 PRKCI (0.61) PRKCIPRMT6ABHD6HRH3MGLL
SCHEMBL4510964 0.78 CA2 (0.43) CYP3A4
SCHEMBL2805877 0.77 FFAR1 (0.58) FFAR1
SCHEMBL13168315 0.76 FFAR1 (0.45) HRH3CYP3A4CYP19A1FFAR1
SCHEMBL9454720 0.76 KMT2A (0.48) CYP11B1CYP3A4CYP11B2
SCHEMBL10532247 0.76 FDPS (0.47) PRMT6AGXTCYP11B1CYP3A4CYP11B2
SCHEMBL1521290 0.76 AGXT (0.73) PRKCIPRMT6HRH3AGXTCYP11B1
SCHEMBL15677919 0.75 PRKCI (0.56) PRKCIPRMT6ABHD6HRH3MGLL

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 PRKCI 4650/4885PRMT6 3331/4885ABHD6 2029/4885

“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.