SCHEMBL6289643

SCHEMBL6289643

Cc1cccc(-c2c(OCCO)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.53
EDNRB P24530 4/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
DHPS P49366 1/20 0.42
NR1H3 Q13133 1/20 0.42
NR1I3 Q14994 1/20 0.42
IKBKB O14920 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL6293080 0.90 EDNRA (0.55) EDNRAEDNRBKDM4EALDH1A1ABCC3
SCHEMBL6289179 0.89 EDNRA (0.61) EDNRAEDNRB
SCHEMBL6292805 0.89 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6289620 0.87 EDNRB (0.57) EDNRAEDNRB
SCHEMBL6292744 0.85 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6289254 0.84 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6293126 0.84 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6292767 0.84 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6289880 0.83 EDNRA (0.55) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6289608 0.83 EDNRA (0.54) EDNRAEDNRBALDH1A1ABCC3ABCC4

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 EDNRA 2/4885EDNRB 1/4885KDM4E 3618/4885

“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.