SCHEMBL13340495

SCHEMBL13340495

CC(C)(C)OC(=O)Nc1sc2ncccc2c1C(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1S2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
GPR6 P46095 4/20 0.33
EGLN2 Q96KS0 2/20 0.33
DTYMK P23919 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
RET P07949 1/20 0.30
CRBN Q96SW2 2/20 0.30
PKLR P30613 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL13340541 0.90 ACACB (0.39) ACACBACACADTYMKCRBN
SCHEMBL3492172 0.89 ACACB (0.37) ACACBACACAGPR6CYP3A4MAPK1
SCHEMBL3492176 0.89 ACACB (0.37) ACACBACACAGPR6CYP3A4MAPK1
SCHEMBL3491550 0.88 ACACB (0.40) ACACBACACAGPR6CCNCCDK8
SCHEMBL3491551 0.88 ACACB (0.40) ACACBACACAGPR6CCNCCDK8
SCHEMBL13340620 0.88 GPR119 (0.32) ACACBACACAEGLN2GPR119CYP3A4
SCHEMBL3493757 0.86 ACACB (0.49) ACACBACACA
SCHEMBL3493754 0.86 ACACB (0.49) ACACBACACA
SCHEMBL13340464 0.84 ACACB (0.39) ACACBACACAGPR6CYP3A4MAPK1
SCHEMBL3493749 0.83 SLC6A7 (0.32) ACACBACACACYP3A4MAPK1ALDH1A1

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
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ACACB 5/4885ACACA 1/4885GPR6 3080/4885

“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.