SCHEMBL3882140

SCHEMBL3882140

CCOC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3ncsc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
S1PR1 P21453 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
PFKFB3 Q16875 2/20 0.38
SYK P43405 4/20 0.37
FKBP1A P62942 1/20 0.36
FKBP5 Q13451 1/20 0.36
P2RX3 P56373 1/20 0.35
TGFBR1 P36897 2/20 0.35
ESR1 P03372 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
C5AR1 P21730 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3688602 0.93 S1PR1 (0.39) PDE4BPDE4DS1PR1HRH3PDE3B
SCHEMBL3881860 0.88 S1PR1 (0.46) PDE4BPDE4DS1PR1PFKFB3NPC1
SCHEMBL3885523 0.87 NPC1 (0.43) PDE4BS1PR1HRH3PDE3BPDE3A
SCHEMBL3686671 0.86 S1PR1 (0.40) PDE4BS1PR1HRH3PDE3BPDE3A
SCHEMBL3882189 0.86 S1PR1 (0.40) S1PR1HRH3PDE3BPDE3AP2RY12
SCHEMBL3882489 0.84 ABL1 (0.44) PDE4BS1PR1PDE3BPDE3AP2RY12
SCHEMBL3684212 0.84 S1PR1 (0.40) PDE4BS1PR1HRH3PDE3BPDE3A
SCHEMBL8984887 0.82 CYP4F2 (0.46) S1PR1HRH3P2RX3CYP4F2CYP4A11
SCHEMBL3882703 0.82 HRH3 (0.43) S1PR1HRH3PDE3BPDE3AP2RY12
SCHEMBL3681385 0.81 S1PR1 (0.46) PDE4BPDE4DS1PR1C5AR1

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 PDE4B 3458/4885PDE4D 4359/4885S1PR1 77/4885

“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.