Sugi Predict

Sugi Predict / Compounds / SCHEMBL10169914

SCHEMBL10169914

SCHEMBL10169914

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(NC(C)=O)ccc2O3)nc2c(OC)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.49
▸ ACACA Q13085 2/20 0.49
▸ CRBN Q96SW2 2/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35

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
SCHEMBL10170035 0.93 ACACB (0.48) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170256 0.92 ACACB (0.41) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169953 0.91 ACACB (0.41) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10170012 0.91 ACACB (0.39) ACACBACACACRBNHDAC3HDAC4
SCHEMBL10169990 0.90 ALOX15 (0.40) ACACBACACACRBNHDAC3HDAC4
SCHEMBL551283 0.88 ACACB (0.52) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170259 0.88 ACACB (0.52) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL551034 0.88 ACACB (0.50) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL552034 0.87 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10169913 0.87 ACACB (0.54) ACACBACACASMN1; SMN2LMNAMAPT

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 1/4885CRBN 2624/4885

“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.