SCHEMBL658231

SCHEMBL658231

Cc1cc(Cl)ccc1C(CC(=O)O)CC(=O)OC(=O)CC(CC(=O)O)c1ccc(Cl)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
CYP2C9 P11712 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKCZ Q05513 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
SCHEMBL656899 0.91 GABBR2 (0.47) TSHRHTR2AHTR2CHTR2BGABBR2
SCHEMBL658019 0.85 EEF2K (0.44)
SCHEMBL10745484 0.84 GABBR2 (0.44) TSHRHTR2AHTR2CHTR2BGABBR2
SCHEMBL657343 0.79 CTSA (0.42) GABBR2GABBR1NPSR1
SCHEMBL31462584 0.79 GABBR2 (0.47) TSHRHTR2AHTR2CHTR2BGABBR2
SCHEMBL28801649 0.77 CYP2C9 (0.44) TSHRHTR2AHTR2CHTR2BGABBR2
SCHEMBL7638884 0.77 FFAR1 (0.48) TSHRHTR2AHTR2CHTR2BGABBR2
SCHEMBL657723 0.75 GABBR2 (0.65) TSHRGABBR2GABBR1CYP2C9LMNA
SCHEMBL658250 0.74 FNTA (0.50) TSHRGABBR2GABBR1CYP2C9LMNA
SCHEMBL363436 0.73 KMT2A (0.47) TSHRGABBR2GABBR1CYP2C9LMNA

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 TSHR 3221/4885HTR2A 3784/4885HTR2C 4054/4885

“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.