SCHEMBL6289631

SCHEMBL6289631

Cn1nc(OCCO)c(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)c1ccc(C(C)(C)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.41
EDNRB P24530 6/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CD O00329 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL6289621 0.93 EDNRA (0.48) EDNRAEDNRBALDH1A1KDM4E
SCHEMBL6292724 0.90 EDNRB (0.46) EDNRAEDNRB
SCHEMBL6289852 0.88 ALDH1A1 (0.42) EDNRAEDNRBALDH1A1KDM4E
SCHEMBL6289662 0.84 EDNRA (0.57) EDNRAEDNRB
SCHEMBL6293072 0.84 MAPT (0.44) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL6288929 0.82 EDNRB (0.43) EDNRB
SCHEMBL6288973 0.82 EDNRB (0.53) EDNRAEDNRB
SCHEMBL6292822 0.82 EDNRB (0.43) EDNRB
SCHEMBL6289777 0.81 MAPT (0.44) EDNRAEDNRBALDH1A1MEN1MAPT
SCHEMBL6292787 0.80 EDNRA (0.44) EDNRAEDNRBALDH1A1HDAC3HDAC4

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 7 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-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP 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 EDNRA 2/4885EDNRB 1/4885ALDH1A1 1527/4885

“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.