SCHEMBL3885016

SCHEMBL3885016

Nc1nc2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
FFAR4 Q5NUL3 3/20 0.44
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
EPHX2 P34913 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PIK3CA P42336 5/20 0.39
PI4KA P42356 5/20 0.39
PI4KB Q9UBF8 5/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CB P42338 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3882066 0.99 S1PR1 (0.46) S1PR1FFAR4LMNACYP1A2EPHX2
SCHEMBL3891603 0.89 PDE3B (0.41) S1PR1LMNACYP1A2EPHX2PIK3CA
SCHEMBL3882087 0.88 PDE3B (0.41) S1PR1LMNACYP1A2EPHX2PIK3CA
SCHEMBL3882781 0.87 S1PR1 (0.46) S1PR1FFAR4LMNACYP1A2EPHX2
SCHEMBL3882657 0.86 S1PR1 (0.45) S1PR1FFAR4LMNACYP1A2EPHX2
SCHEMBL3882646 0.85 THRA (0.44) S1PR1FFAR4LMNAEPHX2THRA
SCHEMBL3884019 0.84 THRA (0.45) S1PR1FFAR4LMNAEPHX2THRA
SCHEMBL3891599 0.83 CYP1A2 (0.41) LMNACYP1A2EPHX2PIK3CAPI4KA
SCHEMBL3883951 0.83 S1PR1 (0.46) S1PR1FFAR4THRATHRBMEN1
SCHEMBL3882082 0.83 CYP1A2 (0.40) LMNACYP1A2EPHX2PIK3CAPI4KA

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 12 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN 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
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 77/4885FFAR4 115/4885LMNA 820/4885

“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.