SCHEMBL334270

SCHEMBL334270

COCOc1cc(CC#N)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
HTR7 P34969 1/20 0.34
XDH P47989 1/20 0.34
ENPP2 Q13822 1/20 0.33
NPC1 O15118 2/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
FLT3 P36888 1/20 0.32
PKM P14618 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1008180 0.84 HTR7 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGHTR7
SCHEMBL3905475 0.84 CYP4F2 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGXDH
SCHEMBL27748078 0.81 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGXDH
SCHEMBL10271333 0.81 PKM (0.42) SLC22A12NPC1PKMKDM4ETDP1
SCHEMBL2118714 0.81 XDH (0.35) PIK3CDPIK3CAPIK3CBPIK3CGXDH
SCHEMBL334082 0.79 SLC22A12 (0.40) SLC22A12NPC1RAB9ATDP1PTPN1
SCHEMBL3033490 0.79 TSHR (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL6155856 0.77 SLC22A12 (0.38) SLC22A12NPC1KDM4ETDP1PTPN1
SCHEMBL1234544 0.76 SLC22A12 (0.62) SLC22A12ENPP2KDM4ETDP1MMP3
SCHEMBL14472635 0.76 AR (0.50) XDHALDH1A1LMNAMAPT

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
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PIK3CD 3587/4885PIK3CA 2913/4885PIK3CB 4012/4885

“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.