SCHEMBL17792183

SCHEMBL17792183

N#Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1SC1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.45
KCNQ2 O43526 4/20 0.45
MAOB P27338 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
BCL9 O00512 3/20 0.40
CTNNB1 P35222 3/20 0.40
TSHR P16473 1/20 0.39
MAOA P21397 1/20 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
SCHEMBL17792185 0.91 NPC1 (0.47) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL19473196 0.91 KCNQ3 (0.44) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL17792184 0.91 KCNQ3 (0.41) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL19473176 0.88 NPC1 (0.50) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL17792182 0.85 MAOB (0.47) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL19351474 0.84 MAOB (0.47) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL17792178 0.84 NPC1 (0.46) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL17792177 0.84 MAOB (0.47) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL19473192 0.82 NPC1 (0.46) KCNQ3KCNQ2MAOBNPC1RAB9A
SCHEMBL17792179 0.82 NAMPT (0.46) KCNQ3KCNQ2MAOBNPC1RAB9A

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 4805/4885MAOB 3507/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885MAOB 3507/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885MAOB 3507/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885MAOB 3507/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS KCNQ3 4749/4885KCNQ2 4805/4885MAOB 3507/4885

“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.