SCHEMBL17792190

SCHEMBL17792190

O=C(O)CC1CCC(Sc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DGAT1 O75907 1/20 0.49
CCR2 P41597 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
FABP4 P15090 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 3/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL17784013 0.94 NPC1 (0.48) NPC1RAB9ADGAT1CCR2TDP1
SCHEMBL19473203 0.92 NPC1 (0.47) NPC1RAB9ADGAT1CCR2TDP1
SCHEMBL17784091 0.89 NPC1 (0.46) NPC1RAB9ACCR2MAOBKCNQ3
SCHEMBL17792086 0.87 NPC1 (0.54) NPC1RAB9ACCR2NPSR1MAOB
SCHEMBL17816187 0.87 NPC1 (0.45) NPC1RAB9ADGAT1CCR2TDP1
SCHEMBL21991658 0.87 DGAT1 (0.40) NPC1RAB9ADGAT1TP53MAOB
SCHEMBL17792189 0.87 DGAT1 (0.40) NPC1RAB9ADGAT1TP53MAOB
SCHEMBL17792169 0.87 NPC1 (0.53) NPC1RAB9ACCR2NPSR1MAOB
SCHEMBL17792161 0.86 NPC1 (0.53) NPC1RAB9ACCR2NPSR1MAOB
SCHEMBL19473180 0.86 NPC1 (0.55) NPC1RAB9ACCR2NPSR1MAOB

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 NPC1 205/4885RAB9A 3577/4885DGAT1 791/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885DGAT1 791/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885DGAT1 791/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885DGAT1 791/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885DGAT1 791/4885

“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.