SCHEMBL13340541

SCHEMBL13340541

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(NC(=O)OC(C)(C)C)sc4ncccc34)CC1)S2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
ACACA Q13085 4/20 0.39
DTYMK P23919 1/20 0.34
METAP1 P53582 1/20 0.33
CRBN Q96SW2 2/20 0.32
ATM Q13315 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
POLB P06746 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
TDP2 O95551 1/20 0.30
AKT1 P31749 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
SCHEMBL3494665 0.90 ACACB (0.40) ACACBACACAATM
SCHEMBL3494669 0.90 ACACB (0.40) ACACBACACAATM
SCHEMBL13340495 0.90 ACACB (0.37) ACACBACACADTYMKCRBN
SCHEMBL3490730 0.88 ACACB (0.40) ACACBACACAATM
SCHEMBL3490732 0.88 ACACB (0.40) ACACBACACAATM
SCHEMBL13340560 0.87 ACACB (0.33) ACACBACACACRBN
SCHEMBL3492828 0.86 ACACB (0.52) ACACBACACA
SCHEMBL3492830 0.86 ACACB (0.52) ACACBACACA
SCHEMBL3492877 0.82 ATM (0.33) ACACBACACAATM
SCHEMBL13340404 0.81 CRBN (0.33) ACACBACACACRBN

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 1/4885DTYMK 3692/4885

“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.