SCHEMBL1259401

SCHEMBL1259401

O=C(O)C1CCn2c(Cc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 3/20 0.56
RAC1 P63000 3/20 0.56
PTGS2 P35354 3/20 0.56
PTGS1 P23219 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CHRM3 P20309 1/20 0.56
OPRM1 P35372 1/20 0.56
PAK1 Q13153 1/20 0.56
LMNA P02545 2/20 0.49
ABCC4 O15439 1/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
CYP1A2 P05177 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.38
S1PR1 P21453 1/20 0.37

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
SCHEMBL10398047 0.77 NPC1 (0.53) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11003137 0.76 PTGS2 (0.44) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL10934382 0.75 CDC42 (0.45) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL9088673 0.74 CDC42 (0.60) CDC42RAC1PTGS2PTGS1NPC1
Ketorolac SCHEMBL23466702 0.72 PTGS2 (1.00) CDC42RAC1PTGS2PTGS1NPC1
Ketorolac SCHEMBL14892 0.72 PTGS2 (1.00) CDC42RAC1PTGS2PTGS1NPC1
Ketorolac SCHEMBL4103 0.72 PTGS2 (1.00) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL10398048 0.72 CDC42 (0.57) CDC42RAC1PTGS2PTGS1NPC1
Ketorolac SCHEMBL15661224 0.71 PTGS2 (0.97) CDC42RAC1PTGS2PTGS1NPC1
Ketorolac SCHEMBL20553125 0.71 PTGS2 (0.97) CDC42RAC1PTGS2PTGS1NPC1

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-9192571-B2 Ketorolac tromethamine compositions for treating or preventing ocular pain ALLERGAN, INC. (US) 2015-11-24 US disclosed
US-7879901-B2 Sublingual Formulations of Ketorolac or Salts Thereof NATURE'S PLUS FARMACEUTICA LTDA. (BR) 2011-02-01 US disclosed
US-20100087503-A1 KETOROLAC TROMETHAMINE COMPOSITIONS FOR TREATING OR PREVENTING OCULAR PAIN ALLERGAN, INC. (US) 2010-04-08 US disclosed
EP-1633342-B1 PHARMACEUTICAL COMPOSITION BASED ON KETOROLAC OR ONE OF ITS SALTS PHARMACEUTICALLY ACCEPTABLE AND USE OF KETOROLAC OR ITS SALTS IN PHARMACEUTICAL COMPOSITIONS NATURE S PLUS FARMACEUTICA LTD (BR) 2010-04-07 EP disclosed
EP-1633342-A4 PHARMACEUTICAL COMPOSITION BASED ON KETOROLAC OR ONE OF ITS SALTS PHARMACEUTICALLY ACCEPTABLE AND USE OF KETOROLAC OR ITS SALTS IN PHARMACEUTICAL COMPOSITIONS NATURE S PLUS FARMACEUTICA LTD (BR) 2008-03-05 EP disclosed
US-20060128782-A1 Pharmaceutical composition based on ketorolac or one of its salts pharmaceutically acceptable and use of ketorolac or its salts in pharmaceutical compositions NATURE'S PLUS FARMACEUTICA LTDA. (BR) 2006-06-15 US disclosed
EP-1633342-A2 PHARMACEUTICAL COMPOSITION BASED ON KETOROLAC OR ONE OF ITS SALTS PHARMACEUTICALLY ACCEPTABLE AND USE OF KETOROLAC OR ITS SALTS IN PHARMACEUTICAL COMPOSITIONS Nature's Plus Farmacêutica Ltda. (BR) 2006-03-15 EP disclosed
WO-2004105678-A2 PHARMACEUTICAL COMPOSITION BASED ON KETOROLAC OR ONE OF ITS SALTS PHARMACEUTICALLY ACCEPTABLE AND USE OF KETOROLAC OR ITS SALTS IN PHARMACEUTICAL COMPOSITIONS NATURE'S PLUS FARMACÊUTICA LTDA. (BR) 2004-12-09 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 (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-20060128782-A1 Pharmaceutical composition based on ketorolac or one of its salts pharmaceutically acceptable and use of ketorolac or its salts in pharmaceutical compositions SI, SORD, KHK CDC42 2827/4885RAC1 2927/4885PTGS2 2028/4885

“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.