SCHEMBL657674

SCHEMBL657674

Cc1ccc(CC(=O)N(CCC(=O)O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.58
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.47
REN P00797 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL2364902 0.89 CNR2 (0.48) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL657435 0.87 HDAC1 (0.56) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL13386233 0.86 CNR2 (0.63) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL657957 0.86 SMN1; SMN2 (0.66) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL658329 0.80 HDAC3 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL657249 0.80 CNR2 (0.56) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL3199140 0.79 TP53 (0.64) TP53MEN1KMT2ASMN1; SMN2LTB4R2
SCHEMBL9295793 0.78 TP53 (0.62) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL657395 0.77 SMN1; SMN2 (0.61) CNR2HDAC1HDAC6HDAC3HDAC4
SCHEMBL14398964 0.76 TP53 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CNR2 4264/4885HDAC1 2479/4885HDAC6 1601/4885

“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.