SCHEMBL12427772

SCHEMBL12427772

CCOc1nc(-c2ccccc2)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.58
CD274 Q9NZQ7 2/20 0.58
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
PLA2G2A P14555 2/20 0.46

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
SCHEMBL14932095 0.87 ALDH1A1 (0.58) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL30365058 0.85 PDCD1 (0.71) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL12427769 0.81 PDCD1 (0.55) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL19895200 0.80 RAB9A (0.49) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL9462022 0.78 ALDH1A1 (0.53) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL424839 0.77 TUBB4A (0.47) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3199778 0.77 NPC1 (0.58) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL17647151 0.76 PDCD1 (0.53) PDCD1CD274L3MBTL1MAPTSMN1; SMN2
SCHEMBL17016687 0.75 HSD17B10 (0.58) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12427719 0.74 PDCD1 (0.51) PDCD1CD274L3MBTL1MAPTSMN1; SMN2

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-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG PDCD1 2976/4885CD274 2428/4885L3MBTL1 3993/4885

“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.