SCHEMBL6289893

SCHEMBL6289893

Cn1nc(OCCO)c(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 4/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TP53 P04637 3/20 0.37
GAA P10253 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
PIK3CD O00329 1/20 0.36
ADORA1 P30542 1/20 0.35
MAPT P10636 5/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL6289891 1.00 ALDH1A1 (0.50) ALDH1A1LMNAPOLBKDM4EEDNRB
SCHEMBL6289621 0.80 EDNRA (0.48) ALDH1A1KDM4EEDNRBEDNRA
SCHEMBL6289631 0.78 EDNRA (0.41) ALDH1A1KDM4EEDNRBEDNRAPIK3CD
SCHEMBL6289186 0.78 LMNA (0.50) ALDH1A1LMNAPOLBKDM4EEDNRB
SCHEMBL6289188 0.78 LMNA (0.50) ALDH1A1LMNAPOLBKDM4EEDNRB
SCHEMBL6289882 0.76 HPGD (0.40) ALDH1A1LMNAPOLBKDM4EEDNRB
SCHEMBL6288945 0.76 LMNA (0.38) LMNAEDNRBEDNRAGAAPIK3CD
SCHEMBL6289852 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EEDNRBEDNRATP53
SCHEMBL6293067 0.74 PIK3CD (0.45) ALDH1A1KDM4EEDNRBEDNRAGAA
SCHEMBL6288875 0.73 KMT2A (0.45) ALDH1A1EDNRBEDNRATP53HPGD

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 1527/4885LMNA 2329/4885POLB 1475/4885

“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.