SCHEMBL13340404

SCHEMBL13340404

Cc1cc2c(C(=O)N3CCC4(CC3)CC(=O)c3ccccc3S4)c(NC(=O)OC(C)(C)C)sc2nc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.33
ACACA Q13085 5/20 0.33
ACACB O00763 3/20 0.33
LCK P06239 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL3491754 0.90 ACACA (0.35) ACACAACACBCNR1CNR2
SCHEMBL3491751 0.90 ACACA (0.35) ACACAACACBCNR1CNR2
SCHEMBL13367509 0.88 ACACA (0.34) ACACAACACB
SCHEMBL3492929 0.86 ACACB (0.42) ACACAACACB
SCHEMBL3492926 0.86 ACACB (0.42) ACACAACACB
SCHEMBL3492942 0.82 HTR2C (0.34) ACACAACACB
SCHEMBL13340541 0.81 ACACB (0.39) CRBNACACAACACB
SCHEMBL13340560 0.80 ACACB (0.33) CRBNACACAACACB
SCHEMBL3494529 0.78 ACACB (0.52) ACACAACACB
SCHEMBL3494526 0.78 ACACB (0.52) ACACAACACB

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-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 CRBN 3767/4885ACACA 1/4885ACACB 5/4885

“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.