SCHEMBL3493792

SCHEMBL3493792

CC(C)(C)OC(=O)N1CCC2(C=C(O[Si](C)(C)C(C)(C)C)c3cc(-c4noc(=O)[nH]4)ccc3S2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.38
PKM P14618 1/20 0.37
RBP4 P02753 1/20 0.36
USP30 Q70CQ3 2/20 0.34
RARA P10276 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HDAC4 P56524 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RET P07949 4/20 0.32
PLA2G2A P14555 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3493790 1.00 SCD5 (0.38) SCD5PKMRBP4USP30RARA
SCHEMBL13339887 0.88 SCD5 (0.37) SCD5PKMRBP4USP30RARA
SCHEMBL3491104 0.83 SCD5 (0.37) SCD5PKMRBP4USP30GPR119
SCHEMBL3491107 0.83 SCD5 (0.37) SCD5PKMRBP4USP30GPR119
SCHEMBL3493687 0.81 SCD5 (0.41) SCD5PKMRBP4USP30RARA
SCHEMBL3493692 0.81 SCD5 (0.41) SCD5PKMRBP4USP30RARA
SCHEMBL3494444 0.80 GPR119 (0.41) SCD5GPR119
SCHEMBL3494448 0.80 GPR119 (0.41) SCD5GPR119
SCHEMBL3494637 0.78 PKM (0.39) SCD5PKMUSP30GPR119
SCHEMBL3494641 0.78 PKM (0.39) SCD5PKMUSP30GPR119

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B SCD5 158/4885PKM 1044/4885RBP4 2498/4885

“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.