SCHEMBL6288900

SCHEMBL6288900

COCCOCN(c1c(-c2ccc3c(c2)OCO3)c(OCCOC(C)=O)nn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
MMP13 P45452 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
RAB9A P51151 2/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 2/20 0.32
RIPK2 O43353 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EDNRB P24530 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
SLC6A9 P48067 1/20 0.31

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
SCHEMBL6288951 0.93 ALDH1A1 (0.35) ALDH1A1HTTNPSR1MALT1MMP13
SCHEMBL6293102 0.87 EDNRB (0.35) MAPTTP53SMN1; SMN2EDNRBPTGS2
SCHEMBL6293075 0.87 EDNRB (0.34) MALT1EDNRBPTGS2
SCHEMBL6292703 0.87 EDNRB (0.36) ALDH1A1MMP13TP53SMN1; SMN2EDNRB
SCHEMBL6289771 0.87 KEAP1 (0.36) TP53EDNRB
SCHEMBL6289235 0.82 KEAP1 (0.32) EDNRB
SCHEMBL6292741 0.80 SIRT2 (0.36) ALDH1A1MMP13MAPTRIPK2TP53
SCHEMBL6289609 0.79 EDNRA (0.39) MAPTTP53SMN1; SMN2EDNRBPTGS2
SCHEMBL6289642 0.79 EDNRA (0.39) ALDH1A1TP53SMN1; SMN2EDNRB
SCHEMBL6292677 0.79 EDNRA (0.39) EDNRBPTGS2

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
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 ALDH1A1 1527/4885HTT 4361/4885NPSR1 818/4885

“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.