SCHEMBL3884679

SCHEMBL3884679

Cc1nc2ccc(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4B Q07343 1/20 0.44
LDHA P00338 2/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
XDH P47989 3/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
MME P08473 1/20 0.39
MMEL1 Q495T6 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL3680931 0.93 S1PR1 (0.49) S1PR1NPC1RAB9APDE4BLDHA
SCHEMBL3885523 0.91 NPC1 (0.43) S1PR1NPC1RAB9APDE4BXDH
SCHEMBL3680830 0.90 S1PR1 (0.46) S1PR1PDE4BTHRATHRBXDH
SCHEMBL3882781 0.89 S1PR1 (0.46) S1PR1THRATHRB
SCHEMBL3690255 0.89 S1PR1 (0.47) S1PR1NPC1RAB9ATHRATHRB
SCHEMBL3883783 0.89 S1PR1 (0.46) S1PR1PDE4BTHRATHRB
SCHEMBL3882657 0.89 S1PR1 (0.45) S1PR1THRATHRBXDH
SCHEMBL3888367 0.84 PDE4B (0.44) NPC1RAB9APDE4BLDHAXDH
SCHEMBL3881860 0.84 S1PR1 (0.46) S1PR1NPC1RAB9APDE4BTHRA
SCHEMBL3691485 0.84 S1PR1 (0.41) S1PR1NPC1RAB9APDE4BXDH

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 77/4885NPC1 84/4885RAB9A 3743/4885

“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.