SCHEMBL657849

SCHEMBL657849

O=C1CC(c2cccs2)CC(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
AKT1 P31749 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTRB1 P17538 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
MAP1LC3B Q9GZQ8 2/20 0.39
KDM4E B2RXH2 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1781122 0.78 MAPT (0.57) POLBGAAMAPTAKT1HCAR2
SCHEMBL5142779 0.78 GAA (0.55) POLBGAAMAPTAKT1ALDH1A1
SCHEMBL497608 0.74
SCHEMBL11471110 0.74 MAPT (0.51) POLBGAAMAPTHCAR2ALDH1A1
SCHEMBL3438533 0.72 MAPT (0.50) POLBGAAMAPTHCAR2ALDH1A1
Hydrochloric Acid SCHEMBL11286601 0.72
SCHEMBL25048712 0.72 MAPT (0.50) POLBGAAMAPTHCAR2ALDH1A1
SCHEMBL22111733 0.72 POLB (0.54) POLBGAAMAPTHCAR2ALDH1A1
SCHEMBL21795277 0.72 POLB (0.50) POLBGAAMAPTHCAR2ALDH1A1
SCHEMBL9925967 0.72 POLB (0.67) POLBGAAMAPTHCAR2ALDH1A1

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 6 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
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP 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 POLB 4008/4885GAA 2370/4885MAPT 964/4885

“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.