SCHEMBL656552

SCHEMBL656552

O=C(O)CC(CC(=O)c1ccc2c(ccc3ccccc32)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MGAM O43451 4/20 0.49
GAA P10253 4/20 0.49
SI P14410 4/20 0.49
MGAM2 Q2M2H8 4/20 0.49
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
ATM Q13315 1/20 0.45
PDPK1 O15530 1/20 0.43
AKR1B1 P15121 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL658133 0.89 MGAM (0.53) PTPN1MAPTALDH1A1HPGDMGAM
SCHEMBL13385665 0.86 ALDH1A1 (0.47) PTPN1MAPTALDH1A1HPGDMGAM
SCHEMBL657297 0.82 MEN1 (0.51) PTPN1MAPTHPGDMGAMGAA
SCHEMBL659643 0.82 PDPK1 (0.52) PTPN1ALDH1A1HPGDMGAMGAA
SCHEMBL657993 0.81 PDPK1 (0.65) PTPN1MAPTALDH1A1HPGDMGAM
SCHEMBL16616451 0.77 ATM (0.68) PTPN1MAPTALDH1A1HPGDGABBR2
SCHEMBL7821030 0.77 ALDH1A1 (0.58) PTPN1MAPTALDH1A1HPGDGAA
SCHEMBL657195 0.75 PDPK1 (0.49) MAPTALDH1A1HPGDMGAMGAA
SCHEMBL13385510 0.75 GABBR2 (0.47) PTPN1MAPTALDH1A1HPGDMGAM
SCHEMBL10253431 0.74 ATM (0.59) PTPN1MAPTALDH1A1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO 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-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

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 PTPN1 1145/4885MAPT 964/4885ALDH1A1 4784/4885

“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.