SCHEMBL3494669

SCHEMBL3494669

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.40
ACACA Q13085 9/20 0.40
ATM Q13315 1/20 0.34
CYP46A1 Q9Y6A2 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
BTK Q06187 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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 1.00 ACACB (0.40) ACACBACACAATMCYP46A1MEN1
SCHEMBL3490732 0.94 ACACB (0.40) ACACBACACAATMCYP46A1MEN1
SCHEMBL3490730 0.94 ACACB (0.40) ACACBACACAATMCYP46A1MEN1
SCHEMBL3492830 0.91 ACACB (0.52) ACACBACACA
SCHEMBL3492828 0.91 ACACB (0.52) ACACBACACA
SCHEMBL13340541 0.90 ACACB (0.39) ACACBACACAATM
SCHEMBL3492172 0.89 ACACB (0.37) ACACBACACATSHRBTKALDH1A1
SCHEMBL3492176 0.89 ACACB (0.37) ACACBACACATSHRBTKALDH1A1
SCHEMBL3492877 0.87 ATM (0.33) ACACBACACAATMCYP46A1MEN1
SCHEMBL3494182 0.85 ACACB (0.35) ACACBACACAMEN1KMT2ANPC1

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 ACACB 5/4885ACACA 1/4885ATM 622/4885

“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.