SCHEMBL17792147

SCHEMBL17792147

CC(=O)C1(C)CCC(Sc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.43
RARG P13631 5/20 0.43
RARB P10826 4/20 0.43
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 2/20 0.36
CYP26A1 O43174 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 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
SCHEMBL17784086 0.88 RARA (0.44) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17784041 0.86 RARA (0.40) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17784102 0.84 MAPT (0.45) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17792194 0.84 RARA (0.41) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17792069 0.84 RARA (0.38) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17792112 0.84 RARA (0.38) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17792070 0.84 RARA (0.38) RARARARGRARBKCNQ3KCNQ2
SCHEMBL17784082 0.84 RARA (0.39) RARARARGRARBKCNQ3KCNQ2
SCHEMBL19473184 0.84 TAS1R3 (0.42) RARARARGRARBKCNQ3KCNQ2
SCHEMBL21991173 0.83 MAPT (0.46) RARARARGRARBKCNQ3KCNQ2

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 1 patent. 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

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 RARA 1894/4885RARG 1895/4885RARB 833/4885

“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.