SCHEMBL10170077

SCHEMBL10170077

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(-c4nnn[nH]4)ccc2N3)nc2c(C3CC3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
ACACA Q13085 5/20 0.42
FASN P49327 2/20 0.31
MGLL Q99685 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL551053 0.91 ACACB (0.50) ACACBACACAMGLL
SCHEMBL10169954 0.87 ACACB (0.41) ACACBACACAMGLL
SCHEMBL10170059 0.86 ACACB (0.44) ACACBACACAFASNMEN1KMT2A
SCHEMBL1813814 0.84 ACACB (0.40) ACACBACACAFASN
SCHEMBL10170069 0.84 ACACB (0.42) ACACBACACAMEN1KMT2A
SCHEMBL1810743 0.84 ACACB (0.41) ACACBACACA
SCHEMBL1681569 0.80 ACACB (0.46) ACACBACACA
SCHEMBL10170085 0.79 ACACB (0.37) ACACBACACA
SCHEMBL10170397 0.78 ACACB (0.54) ACACBACACAMGLL
SCHEMBL552199 0.78 ACACB (0.48) ACACBACACA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ACACB 3/4885ACACA 1/4885FASN 25/4885

“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.