SCHEMBL6288951

SCHEMBL6288951

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EDNRA P25101 3/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MMP13 P45452 1/20 0.33
EDNRB P24530 1/20 0.33
PTGS2 P35354 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
GALR3 O60755 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL6288900 0.93 ALDH1A1 (0.34) ALDH1A1HTTNPSR1MAPTRAB9A
SCHEMBL6292677 0.85 EDNRA (0.39) EDNRAEDNRBPTGS2
SCHEMBL6289642 0.85 EDNRA (0.39) ALDH1A1EDNRASMN1; SMN2TP53EDNRB
SCHEMBL6289609 0.85 EDNRA (0.39) EDNRAMAPTSMN1; SMN2TP53EDNRB
SCHEMBL6293048 0.85 EDNRA (0.40) EDNRAEDNRB
SCHEMBL6293075 0.79 EDNRB (0.34) EDNRAEDNRBPTGS2MALT1
SCHEMBL6292703 0.79 EDNRB (0.36) ALDH1A1EDNRASMN1; SMN2TP53MMP13
SCHEMBL6293102 0.79 EDNRB (0.35) EDNRAMAPTSMN1; SMN2TP53EDNRB
SCHEMBL6289771 0.79 KEAP1 (0.36) EDNRATP53EDNRB
SCHEMBL6289621 0.77 EDNRA (0.48) ALDH1A1HTTNPSR1EDNRAEDNRB

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.