SCHEMBL6293252

SCHEMBL6293252

COc1nn(C)c(NS(=O)(=O)c2cccc3nsnc23)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.46
CXCR2 P25025 1/20 0.45
CXCR4 P61073 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CCKBR P32239 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 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
SCHEMBL6288968 0.78 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6292820 0.78 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6293072 0.77 MAPT (0.44) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL6288926 0.77 MAPT (0.46) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL6289686 0.77 MAPT (0.46) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL6289308 0.76 MAPT (0.59) ALDH1A1HSD17B10HTTMEN1KMT2A
SCHEMBL6289638 0.76 MAPT (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6289777 0.75 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6289631 0.68 EDNRA (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6289621 0.67 EDNRA (0.48) ALDH1A1HTT

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 1527/4885HSD17B10 3086/4885HTT 4361/4885

“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.