SCHEMBL3687586

SCHEMBL3687586

CCOC(=O)CCc1cnc(O[C@@H](C)c2ccccc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
RORC P51449 4/20 0.43
RORB Q92753 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
ABCB1 P08183 1/20 0.37
PTPN1 P18031 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL3681908 0.81 CCNC (0.43) FFAR1RORCRORBCYP2D6PTPN1
SCHEMBL5751775 0.81 TDP1 (0.49) FFAR1CYP4F2CYP4A11TDP1ABCB1
SCHEMBL25760634 0.74 CYP4F2 (0.46) CYP4F2CYP4A11CYP3A4CYP2C19JAK2
SCHEMBL3687493 0.74 CYP4F2 (0.48) CYP4F2CYP4A11CYP3A4CYP2C19JAK2
SCHEMBL3688885 0.74 MAPK1 (0.48) CYP4F2CYP4A11CYP3A4CYP2C19TDP1
SCHEMBL6379462 0.72 CYP4F2 (0.45) FFAR1CYP4F2CYP4A11TDP1ABCB1
SCHEMBL3685248 0.72 THRA (0.49) CYP4F2CYP4A11TDP1LMNATHRA
SCHEMBL3692367 0.72 MAOB (0.46) FFAR1CYP4F2CYP4A11PTPN1THRA
SCHEMBL13508926 0.71 CYP4F2 (0.44) CYP4F2CYP4A11CYP3A4CYP2C19JAK2
SCHEMBL3861037 0.69 MAPT (0.52) CYP4F2CYP4A11LMNA

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 7 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
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
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (3 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 FFAR1 11/4885RORC 233/4885RORB 192/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885RORC 233/4885RORB 192/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 FFAR1 11/4885RORC 233/4885RORB 192/4885

“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.