SCHEMBL4505214

SCHEMBL4505214

Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)CN(CC(C)(C)CO)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
NPSR1 Q6W5P4 1/20 0.39
MAP3K5 Q99683 1/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 2/20 0.36
RARA P10276 1/20 0.36
RXRA P19793 1/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL4493561 0.88 MAPK14 (0.55) MAPK14
SCHEMBL4503763 0.76 HRH3 (0.48) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4493328 0.76 MAPK14 (0.56) MAPK14
SCHEMBL4501822 0.75 MAP3K5 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4508293 0.73 GRM5 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4502790 0.73 MAPK14 (0.59) MAPK14KCNH2HRH3
SCHEMBL4502955 0.72 MAPK14 (0.58) MAPK14KCNH2HRH3
SCHEMBL4514200 0.71 MAPK14 (0.61) MAPK14KCNH2HRH3
SCHEMBL10630903 0.71 POLB (0.64) NPSR1POLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL4501453 0.71 MAPK14 (0.53) MAPK14

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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 GRIK1 672/4885GRIA1 999/4885GRIA2 1395/4885

“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.