SCHEMBL659834

SCHEMBL659834

CNC(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.68
NR1H4 Q96RI1 4/20 0.59
EPHX2 P34913 3/20 0.59
FFAR1 O14842 3/20 0.55
KEAP1 Q14145 1/20 0.53
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SRD5A2 P31213 1/20 0.49

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
SCHEMBL15955801 0.81 PLK1 (0.66) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL16027338 0.81 PLK1 (0.72) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL8246095 0.81 PLK1 (1.00) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL14025527 0.80 PLK1 (0.76) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL69746 0.79 FFAR1 (0.81) FFAR1KEAP1HDAC2HDAC8HDAC6
SCHEMBL23840720 0.79 PLK1 (0.70) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL18472970 0.79 PLK1 (0.70) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL10094807 0.79 HDAC1 (0.73) PLK1HDAC8
SCHEMBL6786019 0.79 HSD17B10 (0.79) NR1H4EPHX2FFAR1KEAP1HSD17B10
SCHEMBL264975 0.78 FFAR1 (0.65) FFAR1KEAP1HSD17B10L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (2 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PLK1 1817/4885NR1H4 502/4885EPHX2 948/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PLK1 1817/4885NR1H4 502/4885EPHX2 948/4885

“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.