SCHEMBL17792180

SCHEMBL17792180

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)c(SC2CCC(O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACP1 P24666 1/20 0.35
TRPA1 O75762 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL19473175 0.93 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1TAS1R3
SCHEMBL17816178 0.92 CYP1A2 (0.35) KCNQ3KCNQ2KCNE1KCNQ1TAS1R3
SCHEMBL17792129 0.91 TAS1R3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1TAS1R3
SCHEMBL17792077 0.88 LMNA (0.39) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL17792181 0.86 NPC1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL17792175 0.85 MAOB (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL19319194 0.85 MAOB (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL17792174 0.85 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL17816084 0.85 CYP1A2 (0.37) KCNQ3KCNQ2CYP1A2CYP3A4CYP2D6
SCHEMBL17792184 0.84 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710959-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2020-07-14 US disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
US-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2019-07-04 US disclosed
US-10196351-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 US disclosed
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 US disclosed
US-9597332-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-03-21 US disclosed
US-9597332-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-03-21 US disclosed
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 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 (5 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-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885KCNE1 4768/4885

“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.