SCHEMBL552197

SCHEMBL552197

Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
GPR119 Q8TDV5 5/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAD52 P43351 1/20 0.39
TP53 P04637 1/20 0.38
ACACB O00763 2/20 0.38
GPR183 P32249 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL551786 0.88 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL551866 0.86 PKM (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL551328 0.84 GPR119 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175840 0.83 HDAC1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175836 0.83 HDAC1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30016056 0.82 ALK (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175748 0.82 HDAC1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175745 0.82 HDAC1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL550879 0.81 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3494576 0.81 KMT2A (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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
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

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 HDAC3 130/4885HDAC4 343/4885HDAC1 110/4885

“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.