SCHEMBL668253

SCHEMBL668253

CCCCCCC(C(=O)O)n1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.47
APAF1 O14727 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADA P00813 1/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
USP5 P45974 1/20 0.41
LMNA P02545 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HCAR3 P49019 1/20 0.39
TP53 P04637 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL3795625 0.89 HDAC8 (0.55) ASAH1HDAC8DNMT3AAPAF1MEN1
SCHEMBL4558108 0.89 ASAH1 (0.50) ASAH1HDAC8DNMT3AAPAF1MEN1
SCHEMBL668254 0.81 ASAH1 (0.50) ASAH1HDAC8DNMT3AAPAF1MEN1
SCHEMBL21559595 0.81 ASAH1 (0.51) ASAH1MEN1HPGDKMT2AHSD17B10
SCHEMBL21388677 0.81 ASAH1 (0.51) ASAH1MEN1HPGDKMT2AHSD17B10
SCHEMBL7854777 0.81 ASAH1 (0.51) ASAH1MEN1HPGDKMT2AHSD17B10
SCHEMBL14740043 0.80 MEN1 (0.48) ASAH1HDAC8DNMT3AAPAF1MEN1
SCHEMBL7015212 0.79 GABRA1 (0.42) HPGDHSD17B10AGTR1AGTR2HCAR3
SCHEMBL29604106 0.79 ASAH1 (0.48) ASAH1HDAC8DNMT3AAPAF1MEN1
SCHEMBL26202221 0.79 ASAH1 (0.49) ASAH1MEN1HPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO 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 ASAH1 3919/4885HDAC8 1767/4885DNMT3A 3687/4885

“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.