SCHEMBL17792129

SCHEMBL17792129

CC1CCC(Sc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
CYP2C9 P11712 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17792180 0.91 KCNQ3 (0.40) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL19473184 0.88 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL17792133 0.86 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL19473175 0.86 KCNQ3 (0.37) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL17792132 0.86 BRD4 (0.41) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL19473186 0.85 MAOB (0.42) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL19473185 0.83 KMT2A (0.47) KCNQ3KCNQ2MAPTALDH1A1LMNA
SCHEMBL17816178 0.82 CYP1A2 (0.35) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL17792077 0.78 LMNA (0.39) KCNQ3KCNQ2KCNE1KCNQ1CYP2C9
SCHEMBL17784102 0.78 MAPT (0.45) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TAS1R3 3605/4885TAS1R1 3692/4885TAS1R2 3818/4885

“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.