SCHEMBL13508796

SCHEMBL13508796

COc1ccc(Cn2cnc3cc(S(N)(=O)=O)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.56
QPCTL Q9NXS2 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
NPY1R P25929 1/20 0.49
BRD4 O60885 1/20 0.48
CSF1R P07333 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
PTGS2 P35354 1/20 0.48
GHSR Q92847 1/20 0.47

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
SCHEMBL13508800 0.86 P2RX3 (0.53) QPCTQPCTLMEN1KMT2AL3MBTL1
SCHEMBL13508798 0.85 QPCT (0.51) QPCTQPCTLMEN1KMT2AL3MBTL1
SCHEMBL13508795 0.85 CYP11B1 (0.56) CA12CA1CA2CA9BRD4
SCHEMBL166982 0.81 QPCT (0.65) QPCTQPCTLMEN1KMT2AL3MBTL1
SCHEMBL23123295 0.79 QPCT (0.58) QPCTQPCTLMEN1KMT2AL3MBTL1
SCHEMBL20782822 0.78 MMP13 (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL25669155 0.78 QPCT (0.42) QPCTQPCTLCA12CA1CA2
SCHEMBL9127426 0.78 ALDH1A1 (0.57) CA12CA1CA2CA9MEN1
SCHEMBL13508672 0.77 KCNH2 (0.62) QPCTQPCTLMEN1KMT2AL3MBTL1
SCHEMBL15640834 0.76 HTT (0.48) CA12CA1CA2CA9L3MBTL1

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
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 QPCT 774/4885QPCTL 565/4885CA12 4640/4885

“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.