SCHEMBL5407004

SCHEMBL5407004

COC(=O)N(C(Cc1ccccc1)C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
SRR Q9GZT4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30510366 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL4600067 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL4600752 1.00 CTRB1 (0.40) CTRB1PPARGPPARAMAPTCYP1A2
SCHEMBL25177964 0.93 ATM (0.39) PPARGPPARAHTTITGB1ITGA4
SCHEMBL5403825 0.93 ITGA4 (0.42) PPARGPPARAMAPTITGB1ITGA4
SCHEMBL30767800 0.93 ATM (0.39) PPARGPPARAHTTITGB1ITGA4
SCHEMBL25185914 0.92 ITGB1 (0.39) CTRB1PPARGPPARAMAPTITGB1
SCHEMBL3834577 0.92 MEN1 (0.38) PPARGPPARAITGB1ITGA4NPC1
SCHEMBL7105951 0.92 NPC1 (0.38) CTRB1PPARGPPARACYP1A2TSHR
SCHEMBL4192845 0.92 C5AR1 (0.43) PPARGPPARAITGB1ITGA4ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTRB1 3724/4885PPARG 712/4885PPARA 1271/4885

“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.