SCHEMBL17792186

SCHEMBL17792186

CCC1(C(=O)O)CC(Sc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2F)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
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
CCR2 P41597 1/20 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
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL17795673 1.00 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784055 1.00 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784057 1.00 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17792136 0.93 NPC1 (0.47) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17816180 0.93 NPC1 (0.46) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17816170 0.93 NPC1 (0.46) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17792135 0.87 NPC1 (0.45) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL21991031 0.83 NPC1 (0.50) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784158 0.82 NPC1 (0.47) NPC1RAB9ACHRM1MAOBMAOA
SCHEMBL17792198 0.81 NPC1 (0.50) NPC1RAB9ACHRM1MAOBMAOA

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 9 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

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 3577/4885CHRM1 4719/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885CHRM1 4719/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885CHRM1 4719/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885CHRM1 4719/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885CHRM1 4719/4885

“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.