SCHEMBL657922

SCHEMBL657922

CCc1ccc(C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 5/20 0.57
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL660915 0.87 L3MBTL1 (0.60) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL659208 0.86 L3MBTL1 (0.59) CYP2C9CYP2C19L3MBTL1POLBALDH1A1
SCHEMBL657876 0.85 CYP2C9 (0.56) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL657310 0.85 CYP2C9 (0.73) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL658474 0.82 PDPK1 (0.56) L3MBTL1POLBALDH1A1MAPTCNR2
SCHEMBL657267 0.82 L3MBTL1 (0.56) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL659733 0.81 L3MBTL1 (0.54) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL23149235 0.79 L3MBTL1 (0.52) CYP2C9CYP2C19L3MBTL1POLBALDH1A1
SCHEMBL656131 0.77 PDPK1 (0.52) CYP2C9CYP2C19L3MBTL1POLBNPC1
SCHEMBL657882 0.76 NPC1 (0.55) CYP2C9CYP2C19POLBNPC1ALDH1A1

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
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 CYP2C9 4696/4885CYP2C19 4532/4885L3MBTL1 3302/4885

“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.