SCHEMBL17792182

SCHEMBL17792182

O=C(Nc1ccc(F)c(F)c1)c1ccc(O)c(SC2CCC(O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KCNQ3 O43525 4/20 0.44
KCNQ2 O43526 4/20 0.44
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
TOP1 P11387 1/20 0.41
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
EGFR P00533 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL19473176 0.92 NPC1 (0.50) MAOBNPC1RAB9ALMNACASP3
SCHEMBL19351474 0.88 MAOB (0.47) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792178 0.88 NPC1 (0.46) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792177 0.88 MAOB (0.47) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792179 0.85 NAMPT (0.46) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792183 0.85 KCNQ3 (0.45) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17816179 0.83 NPC1 (0.45) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792077 0.83 LMNA (0.39) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792078 0.82 HTR2B (0.44) MAOBNPC1RAB9ALMNACASP3
SCHEMBL17792161 0.82 NPC1 (0.53) MAOBNPC1RAB9ACASP3SENP7

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 MAOB 3507/4885NPC1 205/4885RAB9A 3577/4885
US-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAOB 3507/4885NPC1 205/4885RAB9A 3577/4885
US-10196351-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAOB 3507/4885NPC1 205/4885RAB9A 3577/4885
US-20170298014-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS MAOB 3507/4885NPC1 205/4885RAB9A 3577/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS MAOB 3507/4885NPC1 205/4885RAB9A 3577/4885

“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.