SCHEMBL3492640

SCHEMBL3492640

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3c(NC(=O)O)sc4nc(C(F)(F)F)ccc34)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.48
ACACA Q13085 1/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ATM Q13315 3/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL3492638 1.00 ACACB (0.48) ACACBACACACA1CA2CA7
SCHEMBL3491677 0.94 ACACB (0.46) ACACBACACACA1CA2CA7
SCHEMBL3491676 0.94 ACACB (0.46) ACACBACACACA1CA2CA7
SCHEMBL3491730 0.93 ACACB (0.46) ACACBACACACA1CA2CA7
SCHEMBL3491732 0.93 ACACB (0.46) ACACBACACACA1CA2CA7
SCHEMBL3492484 0.92 ACACB (0.47) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL3492489 0.92 ACACB (0.47) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL3492184 0.92 HSD11B1 (0.47) ACACBACACACA1CA2CA7
SCHEMBL3492189 0.92 HSD11B1 (0.47) ACACBACACACA1CA2CA7
SCHEMBL13340634 0.91 ACACB (0.44) ACACBACACACA1CA2CA7

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 1/4885CA1 4041/4885

“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.