SCHEMBL4087631

SCHEMBL4087631

O=C(O)c1cccc(OCCN2C(=O)CCCN2CCC(O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.69
PTGER2 P43116 13/20 0.69
POLB P06746 1/20 0.51
NR4A2 P43354 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
PTGER3 P43115 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4080274 0.93 PTGER4 (0.72) PTGER4PTGER2NR4A2PTGER3MAOB
SCHEMBL4077399 0.92 PTGER4 (0.60) PTGER4PTGER2POLBNR4A2KMT2A
SCHEMBL27873338 0.88 PTGER4 (0.68) PTGER4PTGER2LMNAPTGER3
SCHEMBL4084905 0.88 PTGER4 (0.64) PTGER4PTGER2NR4A2PTGER3
SCHEMBL4077231 0.87 PTGER4 (0.61) PTGER4PTGER2NR4A2PTGER3MAOB
SCHEMBL4081976 0.86 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL4085414 0.84 PTGER4 (0.92) PTGER4PTGER2PTGER3
SCHEMBL4081035 0.84 PTGER4 (0.62) PTGER4PTGER2NR4A2KMT2AKDM4E
SCHEMBL4077760 0.83 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL27697785 0.82 PTGER4 (0.67) PTGER4PTGER2KMT2APTGER3MEN1

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 39/4885POLB 3909/4885

“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.