SCHEMBL3490886

SCHEMBL3490886

Cc1ccc2c(C(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3S4)c(NC(N)=O)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.41
ACACA Q13085 15/20 0.41
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
USP28 Q96RU2 2/20 0.31
USP25 Q9UHP3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3490888 1.00 ACACB (0.41) ACACBACACAMAPTHTTUSP28
SCHEMBL3492147 0.92 ACACB (0.41) ACACBACACAMAPT
SCHEMBL3492142 0.92 ACACB (0.41) ACACBACACAMAPT
SCHEMBL3491829 0.91 ACACB (0.41) ACACBACACAMAPTUSP28USP25
SCHEMBL3491825 0.91 ACACB (0.41) ACACBACACAMAPTUSP28USP25
SCHEMBL3495471 0.89 ACACB (0.51) ACACBACACA
SCHEMBL3495469 0.89 ACACB (0.51) ACACBACACA
SCHEMBL3494893 0.89 ACACB (0.40) ACACBACACAMAPTKDM4EHSD17B10
SCHEMBL3494892 0.89 ACACB (0.40) ACACBACACAMAPTKDM4EHSD17B10
SCHEMBL3494509 0.89 ACACB (0.42) ACACBACACAMAPT

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 5 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
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
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 1/4885MAPT 3905/4885

“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.