SCHEMBL17795685

SCHEMBL17795685

O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S[C@H]2CCC[C@H](C(=O)O)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 3/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
MAOA P21397 2/20 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
SCHEMBL19473177 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17784149 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17784062 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17792200 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL19479142 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17795746 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17792199 1.00 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17784081 0.94 NPC1 (0.51) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17792187 0.92 NPC1 (0.49) NPC1RAB9ANPSR1KCNQ3KCNQ2
SCHEMBL17792153 0.91 NPC1 (0.47) NPC1RAB9ANPSR1KCNQ3KCNQ2

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-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-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

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 3577/4885NPSR1 1805/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885NPSR1 1805/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885NPSR1 1805/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885NPSR1 1805/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885NPSR1 1805/4885

“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.