SCHEMBL13508798

SCHEMBL13508798

COc1ccc(Cn2cnc3cc(S(=O)(=O)C(F)(F)F)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.51
QPCTL Q9NXS2 1/20 0.51
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
NPY1R P25929 1/20 0.47
BRD4 O60885 1/20 0.46
CSF1R P07333 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GHSR Q92847 1/20 0.45
NR1I2 O75469 3/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13508797 0.86 HTT (0.52) QPCTQPCTLNPC1RAB9ABRD4
SCHEMBL13508796 0.85 QPCT (0.56) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL13508800 0.83 P2RX3 (0.53) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL8875433 0.81 SMN1; SMN2 (0.60) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL23123295 0.76 QPCT (0.58) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL166982 0.76 QPCT (0.65) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL13508672 0.74 KCNH2 (0.62) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL15579167 0.73 KCNH2 (0.72) QPCTQPCTLKDM4ENPC1MAPT
SCHEMBL6047768 0.73 CYP11B1 (0.60) QPCTQPCTLKDM4ENPC1RAB9A
SCHEMBL12771538 0.73 HTT (0.72) QPCTQPCTLALDH1A1BRD4CSF1R

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 565/4885KDM4E 925/4885

“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.