SCHEMBL3689663

SCHEMBL3689663

COC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3cc(NS(=O)(=O)N(C)C)ccc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
SCN9A Q15858 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 2/20 0.35
SRC P12931 4/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL3690662 0.93 FFAR4 (0.41) C5AR1SCN9AMEN1KMT2ASRC
SCHEMBL3676519 0.91 C5AR1 (0.40) C5AR1SCN9AMEN1KMT2APTPN1
SCHEMBL3680727 0.90 C5AR1 (0.41) C5AR1MEN1KMT2APTPN1SRC
SCHEMBL3884610 0.88 ALDH1A1 (0.43) MEN1KMT2APTPN1SRCRORC
SCHEMBL3887867 0.87 C5AR1 (0.42) C5AR1MEN1KMT2APTPN1SRC
SCHEMBL3882373 0.85 C5AR1 (0.45) C5AR1MEN1KMT2APTPN1SRC
SCHEMBL3884475 0.85 BRD4 (0.46) MEN1KMT2APTPN1BRD4
SCHEMBL3885425 0.85 IKBKB (0.40) C5AR1MEN1KMT2APTPN1SRC
SCHEMBL3883137 0.85 C5AR1 (0.49) C5AR1MEN1KMT2APTPN1SRC
SCHEMBL3882048 0.85 MEN1 (0.39) C5AR1MEN1KMT2APTPN1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (4 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 C5AR1 626/4885SCN9A 1254/4885MEN1 4864/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 C5AR1 282/4885SCN9A 1332/4885MEN1 4756/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 C5AR1 626/4885SCN9A 1254/4885MEN1 4864/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 C5AR1 626/4885SCN9A 1254/4885MEN1 4864/4885

“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.