SCHEMBL3679438

SCHEMBL3679438

COC(=O)CCc1cc(F)c(O)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.39
MEP1B Q16820 1/20 0.38
IDO1 P14902 1/20 0.38
ALOX5 P09917 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTPN1 P18031 1/20 0.36
GAA P10253 2/20 0.36
THRA P10827 5/20 0.36
THRB P10828 5/20 0.36
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TSHR P16473 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL16049167 0.89 RPS6KA3 (0.45) RPS6KA3MEP1BALOX5HSP90AB1PTPN1
SCHEMBL3130670 0.89 TRPV1 (0.44) IDO1ALOX5TRPV1HSP90AB1PTPN1
SCHEMBL31075998 0.84 HSP90AB1 (0.54) MEP1BALOX5TRPV1HSP90AB1PTPN1
SCHEMBL3684924 0.82 THRA (0.39) IDO1ALOX5TRPV1HSP90AB1THRA
SCHEMBL5072092 0.82 TRPV1 (0.54) ALOX5TRPV1PTPN1GAAMEN1
SCHEMBL5200656 0.80 TSHR (0.43) HSP90AB1PTPN1TSHRCYP11B1CYP11B2
SCHEMBL23497373 0.80 PTPN1 (0.45) IDO1ALOX5PTPN1TSHRCYP11B1
SCHEMBL29971254 0.80 PTPN1 (0.45) IDO1ALOX5PTPN1TSHRCYP11B1
SCHEMBL4930870 0.80 TSHR (0.45) TRPV1HSP90AB1PTPN1THRATHRB
SCHEMBL6682503 0.79 ERN1 (0.47) IDO1ALOX5TRPV1HSP90AB1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 CN 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
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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 RPS6KA3 2152/4885MEP1B 1810/4885IDO1 669/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 RPS6KA3 1107/4885MEP1B 1457/4885IDO1 928/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 RPS6KA3 2152/4885MEP1B 1810/4885IDO1 669/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 RPS6KA3 2152/4885MEP1B 1810/4885IDO1 669/4885

“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.