SCHEMBL3883783

SCHEMBL3883783

CNc1nc2ccc(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.46
ABL1 P00519 8/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PDE4B Q07343 6/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3882489 0.90 ABL1 (0.44) S1PR1ABL1GAAMAPTPDE4B
SCHEMBL3884679 0.89 S1PR1 (0.49) S1PR1PDE4BTHRATHRB
SCHEMBL3680830 0.87 S1PR1 (0.46) S1PR1ABL1GAAMAPTPDE4B
SCHEMBL3882781 0.87 S1PR1 (0.46) S1PR1THRATHRBPIK3CAALDH1A1
SCHEMBL3690255 0.86 S1PR1 (0.47) S1PR1THRATHRB
SCHEMBL3882657 0.86 S1PR1 (0.45) S1PR1THRATHRBPIK3CAALDH1A1
SCHEMBL3882487 0.85 ABL1 (0.42) ABL1PDE4B
SCHEMBL3881860 0.82 S1PR1 (0.46) S1PR1PDE4BTHRATHRB
SCHEMBL3680931 0.82 S1PR1 (0.49) S1PR1PDE4BTHRATHRB
SCHEMBL3884295 0.81 CYP1A2 (0.42) S1PR1PIK3CAALDH1A1

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
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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US 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 (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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 S1PR1 77/4885ABL1 4022/4885GAA 3225/4885

“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.