SCHEMBL13193333

SCHEMBL13193333

FC(F)(F)c1cc(-c2ccc3c(c2)CCCO3)n(C2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
PTGS1 P23219 3/20 0.48
NR3C2 P08235 7/20 0.47
NOTUM Q6P988 1/20 0.38
KCNH2 Q12809 1/20 0.38
RIPK1 Q13546 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
DYRK1A Q13627 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL12987810 0.78 NOTUM (0.36) PTGS2PTGS1NOTUMKCNH2RIPK1
SCHEMBL13193708 0.75 PTGS1 (0.48) PTGS2PTGS1NR3C2NOTUMRIPK1
SCHEMBL8925539 0.75 NR3C2 (0.49) PTGS2PTGS1NR3C2KCNH2
SCHEMBL6341689 0.72 PTGS2 (0.89) PTGS2PTGS1KCNH2
SCHEMBL8689349 0.72 PTGS2 (0.51) PTGS2PTGS1NR3C2NOTUMRIPK1
SCHEMBL8924318 0.71 PTGS2 (0.63) PTGS2PTGS1NR3C2
SCHEMBL8689354 0.70 PTGS2 (0.64) PTGS2PTGS1NR3C2
SCHEMBL6722795 0.70 NR3C2 (0.52) PTGS2PTGS1NR3C2
SCHEMBL6722182 0.70 NR3C2 (0.49) PTGS2PTGS1NR3C2KCNH2
SCHEMBL12987148 0.69 CLK1 (0.38) NOTUMKCNH2NPC1RAB9ACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 US disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 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-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 PTGS2 3278/4885PTGS1 2796/4885NR3C2 4042/4885

“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.