SCHEMBL3681385

SCHEMBL3681385

O=C(O)CCc1ccc(OCC2CCCC2)c(-c2ccc3scnc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
XDH P47989 2/20 0.38
FFAR4 Q5NUL3 7/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
FFAR1 O14842 2/20 0.37
MAP4K4 O95819 1/20 0.36
CTSC P53634 1/20 0.35
C5AR1 P21730 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
SCHEMBL3881860 0.93 S1PR1 (0.46) S1PR1THRATHRBXDHFFAR4
SCHEMBL3688602 0.88 S1PR1 (0.39) S1PR1XDHPDE4BPDE4DC5AR1
SCHEMBL3688493 0.84 S1PR1 (0.46) S1PR1THRATHRBXDHFFAR4
SCHEMBL3680931 0.84 S1PR1 (0.49) S1PR1THRATHRBXDHFFAR4
SCHEMBL3687420 0.84 THRA (0.46) S1PR1THRATHRBXDHFFAR4
SCHEMBL3882140 0.81 PDE4B (0.40) S1PR1PDE4BPDE4DC5AR1
SCHEMBL3884679 0.81 S1PR1 (0.49) S1PR1THRATHRBXDHPDE4B
SCHEMBL3882781 0.81 S1PR1 (0.46) S1PR1THRATHRBFFAR4MAP4K4
SCHEMBL7725119 0.81 THRA (0.52) S1PR1THRATHRBFFAR4FFAR1
SCHEMBL8984902 0.80 THRA (0.60) S1PR1THRATHRBXDHFFAR4

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 S1PR1 430/4885THRA 309/4885THRB 578/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 S1PR1 430/4885THRA 309/4885THRB 578/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 S1PR1 430/4885THRA 309/4885THRB 578/4885

“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.