SCHEMBL3882489

SCHEMBL3882489

CCOC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3nc(NC)sc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.44
PDE4B Q07343 4/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
RIPK1 Q13546 1/20 0.39
S1PR1 P21453 1/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 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
SCHEMBL3883783 0.90 S1PR1 (0.46) ABL1PDE4BMAPTGAAS1PR1
SCHEMBL3885523 0.90 NPC1 (0.43) ABL1PDE4BPDE3BPDE3AP2RY12
SCHEMBL3882189 0.89 S1PR1 (0.40) ABL1PDE3BPDE3AP2RY12MAPT
SCHEMBL3686671 0.89 S1PR1 (0.40) ABL1PDE4BPDE3BPDE3AP2RY12
SCHEMBL3684212 0.87 S1PR1 (0.40) ABL1PDE4BPDE3BPDE3AP2RY12
SCHEMBL3882140 0.84 PDE4B (0.40) PDE4BPDE3BPDE3AP2RY12NPC1
SCHEMBL3882487 0.82 ABL1 (0.42) ABL1PDE4B
SCHEMBL3884295 0.81 CYP1A2 (0.42) S1PR1
SCHEMBL3688602 0.81 S1PR1 (0.39) PDE4BPDE3BPDE3AP2RY12S1PR1
SCHEMBL3884679 0.81 S1PR1 (0.49) PDE4BNPC1RAB9AS1PR1

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 ABL1 4022/4885PDE4B 3458/4885PDE3B 2030/4885

“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.