SCHEMBL5401012

SCHEMBL5401012

CC(C)CC(CC(=O)O)NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPY5R Q15761 2/20 0.57
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
EGLN2 Q96KS0 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
LTA4H P09960 1/20 0.50
RNF4 P78317 1/20 0.50
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ANPEP P15144 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
CRHBP P24387 1/20 0.48

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
SCHEMBL5401004 1.00 MAPK1 (0.60) MAPK1CYP2C9CYP2C19NPY5RFNTA
SCHEMBL14823033 0.87 CYP2C9 (0.64) MAPK1CYP2C9CYP2C19NPY5RFNTA
SCHEMBL5404682 0.86 FPR2 (0.51) SMN1; SMN2ANPEPALDH1A1LMNAMAPT
SCHEMBL5404692 0.86 FPR2 (0.51) SMN1; SMN2ANPEPALDH1A1LMNAMAPT
SCHEMBL2319000 0.84 MAPK1 (0.54) MAPK1CYP2C9CYP2C19NPY5REGLN2
SCHEMBL5412230 0.82 MAPK1 (0.62) MAPK1CYP2C9CYP2C19NPY5RFNTA
SCHEMBL5412209 0.82 MAPK1 (0.62) MAPK1CYP2C9CYP2C19NPY5RFNTA
SCHEMBL8297052 0.80 MEN1 (0.51) MAPK1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL14822903 0.77 MAPK1 (0.52) MAPK1CYP2C9CYP2C19NPY5REGLN2
SCHEMBL5611902 0.76 MAPK1 (0.65) MAPK1CYP2C9CYP2C19NPY5RRNF4

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
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
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 MAPK1 2885/4885CYP2C9 1809/4885CYP2C19 2359/4885

“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.