SCHEMBL3884754

SCHEMBL3884754

CCCCOc1ccc(CCC(=O)OCC)cc1-c1ccc2nc(N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
PI4KA P42356 8/20 0.45
PI4KB Q9UBF8 8/20 0.45
PIK3CD O00329 7/20 0.45
PIK3CB P42338 7/20 0.45
PIK3CG P48736 7/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABL1 P00519 3/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL3885859 0.90 PIK3CA (0.44) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL3882189 0.85 S1PR1 (0.40) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL3891603 0.83 PDE3B (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL3882087 0.83 PDE3B (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL111593 0.82 RAB9A (0.58) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL3887590 0.82 CYP4F2 (0.47) PDE3BPDE3AP2RY12CYP3A4TSHR
SCHEMBL3884753 0.80 PPARD (0.43) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL3885523 0.77 NPC1 (0.43) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL3884295 0.76 CYP1A2 (0.42) PIK3CAPI4KAPI4KBPIK3CDPIK3CB
SCHEMBL15062756 0.75 CYP3A4 (0.64) PDE3BPDE3AP2RY12CYP3A4ALDH1A1

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 PIK3CA 1609/4885PI4KA 1172/4885PI4KB 1300/4885

“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.