SCHEMBL3492033

SCHEMBL3492033

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(NC(=O)O)sc4nc(C(F)(F)F)ccc34)CC1)S2(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.36
ACACA Q13085 11/20 0.36
BRD4 O60885 1/20 0.32
ADRB2 P07550 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
PDE10A Q9Y233 1/20 0.30
SYK P43405 2/20 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
SCHEMBL3492036 0.93 ACACB (0.34) ACACBACACABRD4PDE4BPDE11A
SCHEMBL3495144 0.91 ACACB (0.46) ACACBACACA
SCHEMBL3495140 0.85 ACACB (0.43) ACACBACACA
SCHEMBL13340594 0.85 ACACB (0.32) ACACBACACA
SCHEMBL3495141 0.85 ACACB (0.43) ACACBACACA
SCHEMBL3494182 0.84 ACACB (0.35) ACACBACACABRD4PDE4BPDE11A
SCHEMBL3494179 0.84 ACACB (0.35) ACACBACACABRD4PDE4BPDE11A
SCHEMBL3492640 0.83 ACACB (0.48) ACACBACACA
SCHEMBL3492638 0.83 ACACB (0.48) ACACBACACA
SCHEMBL3494270 0.81 ACACB (0.32) ACACBACACAPDE4BPDE11APDE10A

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 1/4885BRD4 1756/4885

“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.