SCHEMBL657341

SCHEMBL657341

O=C(CC(c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.72
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
HSD11B1 P28845 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL2141566 0.88 PDPK1 (0.78) PDPK1KMT2AMEN1TSHRNPC1
SCHEMBL657374 0.86 KMT2A (0.72) PDPK1KMT2AMEN1GSK3B
SCHEMBL656820 0.84 PDPK1 (1.00) PDPK1KMT2AMEN1TSHRHPGD
SCHEMBL2142669 0.84 PDPK1 (0.72) PDPK1KMT2AMEN1TSHRNPC1
SCHEMBL658265 0.84 PDPK1 (0.72) PDPK1KMT2AMEN1TSHR
SCHEMBL10252711 0.84 PDPK1 (0.72) PDPK1KMT2AMEN1TSHRNPC1
SCHEMBL658879 0.83 KMT2A (0.55) PDPK1KMT2AMEN1NPC1HPGD
SCHEMBL657084 0.81 PDPK1 (0.68) PDPK1TSHR
SCHEMBL657192 0.81 PDPK1 (0.68) PDPK1KMT2AMEN1TSHRNPC1
SCHEMBL658661 0.80 PDPK1 (1.00) PDPK1TSHRNPC1RAB9AGSK3B

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 15 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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO 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
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
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 PDPK1 109/4885KMT2A 1777/4885MEN1 2058/4885

“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.