SCHEMBL2017041

SCHEMBL2017041

CS(=O)(=O)c1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.56
APP P05067 1/20 0.49
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
FLT3 P36888 4/20 0.42
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.41
ESRRG P62508 1/20 0.41
DPP4 P27487 1/20 0.41
PGR P06401 1/20 0.41
PTGS2 P35354 5/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL10627074 0.81 PRF1 (0.54) PRF1FLT3ESR1ESRRGPTGS2
SCHEMBL2017152 0.79 PRF1 (0.58) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL9538845 0.78 APP (0.54) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL14569164 0.77 PRF1 (0.46) PRF1FLT3ESR1ESRRGPTGS2
SCHEMBL7003187 0.77 PRF1 (0.42) PRF1PGRPTGS2PTGS1
SCHEMBL1134019 0.74 APP (0.54) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL7905308 0.74 APP (0.68) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL1133819 0.74 APP (0.54) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL1133750 0.74 APP (0.54) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL1133684 0.74 APP (0.54) PRF1APPCYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885APP 424/4885CYP2E1 2226/4885

“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.