SCHEMBL6293102

SCHEMBL6293102

COCCOCN(c1c(-c2ccc(Cl)cc2)c(OCCOC(C)=O)nn1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OXTR P30559 3/20 0.34
AVPR1A P37288 3/20 0.34
CYP2C9 P11712 1/20 0.34
EDNRA P25101 2/20 0.32
MAPT P10636 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CACNA1H O95180 1/20 0.31
PTGER2 P43116 2/20 0.31
PTGS2 P35354 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
SCHEMBL6292703 0.92 EDNRB (0.36) EDNRBTP53SMN1; SMN2EDNRACACNA1H
SCHEMBL6293075 0.92 EDNRB (0.34) EDNRBEDNRAPTGS2
SCHEMBL6289771 0.92 KEAP1 (0.36) EDNRBTP53EDNRA
SCHEMBL6289609 0.91 EDNRA (0.39) EDNRBTP53SMN1; SMN2OXTRAVPR1A
SCHEMBL6288900 0.87 ALDH1A1 (0.34) EDNRBTP53SMN1; SMN2MAPTPTGS2
SCHEMBL6289235 0.86 KEAP1 (0.32) EDNRBEDNRACACNA1H
SCHEMBL6292677 0.83 EDNRA (0.39) EDNRBEDNRAPTGS2
SCHEMBL6289642 0.83 EDNRA (0.39) EDNRBTP53SMN1; SMN2EDNRAPTGER2
SCHEMBL6293048 0.83 EDNRA (0.40) EDNRBEDNRA
SCHEMBL6288951 0.79 ALDH1A1 (0.35) EDNRBTP53SMN1; SMN2EDNRAMAPT

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 EDNRB 1/4885TP53 3356/4885SMN1; SMN2 4627/4885

“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.