SCHEMBL17792111

SCHEMBL17792111

CC(=O)C1CCC(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
KMT2A Q03164 4/20 0.47
NR1I2 O75469 1/20 0.47
AHR P35869 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 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
TSHR P16473 1/20 0.44
CCR2 P41597 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL19473208 0.94 NPC1 (0.48) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL17792086 0.91 NPC1 (0.54) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL17792108 0.91 NPC1 (0.51) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL17792169 0.91 NPC1 (0.53) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL17792113 0.90 NPC1 (0.47) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL17784052 0.90 NPC1 (0.48) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL19473191 0.89 NPC1 (0.52) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL17792161 0.88 NPC1 (0.53) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL17792153 0.88 NPC1 (0.47) NPC1RAB9AKMT2ANR1I2AHR
SCHEMBL17792156 0.88 NPC1 (0.47) NPC1RAB9AKMT2ANR1I2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC 2017-10-19 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 (2 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-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885KMT2A 2070/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885KMT2A 2070/4885

“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.