SCHEMBL3493687

SCHEMBL3493687

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(-c3noc(=O)[nH]3)ccc1S2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.41
RBP4 P02753 1/20 0.39
PKM P14618 1/20 0.38
RARA P10276 1/20 0.37
USP30 Q70CQ3 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
HDAC4 P56524 1/20 0.35
PLA2G2A P14555 1/20 0.35
RET P07949 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL3493692 1.00 SCD5 (0.41) SCD5RBP4PKMRARAUSP30
SCHEMBL309247 0.81 KMT2A (0.49) HDAC4GPR119
SCHEMBL1816761 0.81 KMT2A (0.49) HDAC4GPR119
SCHEMBL3493790 0.81 SCD5 (0.38) SCD5RBP4PKMRARAUSP30
SCHEMBL3493792 0.81 SCD5 (0.38) SCD5RBP4PKMRARAUSP30
SCHEMBL13339887 0.80 SCD5 (0.37) SCD5RBP4PKMRARAUSP30
SCHEMBL3494968 0.79 GPR119 (0.41) SCD5USP30GPR119
SCHEMBL13339900 0.79 RARB (0.40) RARARARBRARGPLA2G2A
SCHEMBL3494969 0.79 GPR119 (0.41) SCD5USP30GPR119
SCHEMBL3493115 0.78 MEN1 (0.44)

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 5 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
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
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
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 158/4885RBP4 2498/4885PKM 1044/4885

“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.