SCHEMBL17792175

SCHEMBL17792175

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
KCNQ3 O43525 4/20 0.41
KCNQ2 O43526 4/20 0.41
KCNE1 P15382 3/20 0.41
KCNQ1 P51787 3/20 0.41
KCNQ5 Q9NR82 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 4/20 0.39

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
SCHEMBL19319194 1.00 MAOB (0.42) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19351430 0.96 MAOB (0.42) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19351419 0.94 MAOB (0.42) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24771105 0.93 MAOB (0.42) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17792123 0.92 MAOB (0.43) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24771433 0.91 MAOB (0.44) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19351474 0.90 MAOB (0.47) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17792177 0.90 MAOB (0.47) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19473186 0.90 MAOB (0.42) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19351796 0.90 MAOB (0.43) MAOBKCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426245-B1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2022-12-14 EP disclosed
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
WO-2017155844-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-09-14 WO 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 MAOB 3507/4885KCNQ3 4749/4885KCNQ2 4805/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAOB 3507/4885KCNQ3 4749/4885KCNQ2 4805/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAOB 3507/4885KCNQ3 4749/4885KCNQ2 4805/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAOB 3507/4885KCNQ3 4749/4885KCNQ2 4805/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAOB 3507/4885KCNQ3 4749/4885KCNQ2 4805/4885

“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.