SCHEMBL4080500

SCHEMBL4080500

CCOC(=O)C=Cc1cccc(CN2C(=O)CCCN2CCC(O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.53
PTGER2 P43116 12/20 0.53
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
PTGER3 P43115 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.38
HTT P42858 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
SCHEMBL4077776 0.94 PTGER4 (0.55) PTGER4PTGER2ALDH1A1SMN1; SMN2MAPT
SCHEMBL4087561 0.90 PTGER4 (0.60) PTGER4PTGER2PTGER3
SCHEMBL4077733 0.87 ALDH1A1 (0.41) PTGER4PTGER2ALDH1A1SMN1; SMN2MAPT
SCHEMBL4077410 0.86 PTGER4 (0.57) PTGER4PTGER2ALDH1A1SMN1; SMN2PTGER3
SCHEMBL4081966 0.85 PTGER4 (0.62) PTGER4PTGER2PTGER3
SCHEMBL4077676 0.84 PTGER4 (0.61) PTGER4PTGER2ALDH1A1SMN1; SMN2PTGER3
SCHEMBL4087547 0.81 PTGER4 (0.58) PTGER4PTGER2PTGER3
SCHEMBL4080279 0.81 ALDH1A1 (0.40) PTGER4PTGER2ALDH1A1SMN1; SMN2MAPT
SCHEMBL4077758 0.80 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL4080468 0.79 PTGER4 (0.60) PTGER4PTGER2SMN1; SMN2MAPTPTGER3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER4 33/4885PTGER2 39/4885ALDH1A1 1638/4885

“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.