SCHEMBL10170404

SCHEMBL10170404

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(OC(F)(F)F)ccc2N3)nc2c(OC)cccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.51
ACACA Q13085 5/20 0.51
TACR3 P29371 1/20 0.40
ABL1 P00519 4/20 0.40
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPK7 Q13164 3/20 0.36
MGLL Q99685 2/20 0.36
MMP13 P45452 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
CES1 P23141 1/20 0.34

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
SCHEMBL10170379 0.92 ACACB (0.53) ACACBACACASCN5ASCN9A
SCHEMBL10170397 0.88 ACACB (0.54) ACACBACACATACR3MGLL
SCHEMBL550912 0.86 ACACB (0.53) ACACBACACA
SCHEMBL10170392 0.86 ACACB (0.55) ACACBACACA
SCHEMBL10170402 0.86 ACACB (0.48) ACACBACACATACR3ABL1SCN5A
SCHEMBL551729 0.85 ACACB (0.53) ACACBACACA
SCHEMBL10170343 0.85 ACACB (0.50) ACACBACACATACR3ABL1SCN5A
SCHEMBL552021 0.83 ACACB (0.50) ACACBACACA
SCHEMBL551053 0.81 ACACB (0.50) ACACBACACAMGLL
SCHEMBL10170114 0.78 ACACB (0.46) 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 1/4885TACR3 2162/4885

“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.