SCHEMBL6476997

SCHEMBL6476997

COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c2n1CCC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 5/20 0.57
ALOX5 P09917 2/20 0.45
HTR3A P46098 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6475909 0.90 PTGS2 (0.46) PTGS2PTGS1ALOX5HTR3AALDH1A1
SCHEMBL6475809 0.86 KMT2A (0.53) PTGS1ALOX5HTR3AALDH1A1LMNA
SCHEMBL7002206 0.83 PTGS2 (0.55) PTGS2PTGS1ALOX5KMT2A
SCHEMBL6487417 0.80 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL6475771 0.80 PTGS2 (0.49) PTGS2PTGS1ALOX5ALDH1A1LMNA
SCHEMBL6477030 0.80 PTGS2 (0.49) PTGS2PTGS1ALOX5ALDH1A1LMNA
SCHEMBL6484148 0.75 PTGES (0.58) PTGS1ALOX5ALDH1A1LMNAHTT
SCHEMBL6486937 0.75 PTGES (0.58) PTGS1ALOX5ALDH1A1LMNAHTT
SCHEMBL6477160 0.74 PTGS2 (0.50) PTGS2PTGS1ALDH1A1LMNAHTT
SCHEMBL6487001 0.74 PTGS2 (0.60) PTGS2PTGS1ALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 PTGS2 2/4885PTGS1 1/4885ALOX5 62/4885

“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.