SCHEMBL4079608

SCHEMBL4079608

O=C(O)c1ccc(CCN2C(=S)CCCN2CCC(O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.79
PTGER2 P43116 17/20 0.79
TBXA2R P21731 1/20 0.48
NLRP3 Q96P20 1/20 0.43
PTGER3 P43115 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
SCHEMBL4085414 0.91 PTGER4 (0.92) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4086100 0.91 PTGER4 (0.66) PTGER4PTGER2TBXA2R
SCHEMBL1052405 0.89 PTGER2 (1.00) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4077760 0.86 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL4082519 0.82 PTGER4 (0.76) PTGER4PTGER2PTGER3
SCHEMBL27856645 0.80 PTGER4 (0.63) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4080274 0.80 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL4087462 0.79 PTGER4 (0.69) PTGER4PTGER2PTGER3
SCHEMBL4081976 0.79 PTGER4 (0.72) PTGER4PTGER2PTGER3
SCHEMBL4077429 0.78 PTGER4 (0.69) 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 39/4885TBXA2R 946/4885

“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.