SCHEMBL4084905

SCHEMBL4084905

O=C(O)c1ccnc(OCCN2C(=O)CCCN2CCC(O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.64
PTGER2 P43116 13/20 0.64
KDM4C Q9H3R0 1/20 0.42
PTGER3 P43115 1/20 0.42
NR4A2 P43354 1/20 0.38
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL4082482 0.92 PTGER4 (0.56) PTGER4PTGER2PTGER3CTSDBACE1
SCHEMBL4087631 0.88 PTGER4 (0.69) PTGER4PTGER2PTGER3NR4A2
SCHEMBL4080274 0.87 PTGER4 (0.72) PTGER4PTGER2PTGER3NR4A2
SCHEMBL27873338 0.85 PTGER4 (0.68) PTGER4PTGER2PTGER3CTSDBACE1
SCHEMBL4081976 0.82 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL4085414 0.82 PTGER4 (0.92) PTGER4PTGER2PTGER3
SCHEMBL4077231 0.81 PTGER4 (0.61) PTGER4PTGER2PTGER3NR4A2CTSD
SCHEMBL4077399 0.81 PTGER4 (0.60) PTGER4PTGER2PTGER3NR4A2CTSD
SCHEMBL4077760 0.81 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL27697785 0.80 PTGER4 (0.67) PTGER4PTGER2PTGER3

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 39/4885KDM4C 1977/4885

“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.