Sugi Predict

Sugi Predict / Compounds / SCHEMBL552034

SCHEMBL552034

SCHEMBL552034

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.51
▸ ACACA Q13085 3/20 0.51
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC7 Q8WUI4 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC9 Q9UKV0 4/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL10170307 0.92 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170252 0.91 ACACB (0.45) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170251 0.91 ACACB (0.43) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10170259 0.91 ACACB (0.52) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL551283 0.91 ACACB (0.52) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10169952 0.91 ACACB (0.43) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10169992 0.90 ACACB (0.41) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10169913 0.90 ACACB (0.54) ACACBACACAMAPTLMNA
SCHEMBL10170420 0.89 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL10169971 0.89 ALOX15 (0.43) ACACBACACAHDAC3HDAC4HDAC1

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 8 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-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 — — US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 — — EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 — — WO 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
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 1/4885HDAC3 130/4885

“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.