SCHEMBL6289722

SCHEMBL6289722

COCN(c1[nH]nc(OC)c1-c1ccc2c(c1)OCO2)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PIK3CD O00329 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.36
POLB P06746 1/20 0.36
EDNRA P25101 6/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 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
SCHEMBL6292691 0.79 PIK3CD (0.43) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL6288916 0.73 TSHR (0.41) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL7216623 0.68 CYP19A1 (0.42) ALDH1A1MAPTPIK3CDNPC1LMNA
SCHEMBL6293272 0.63 EDNRB (0.40) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL6289617 0.62 CYP1A2 (0.50) ALDH1A1MAPTKDM4ENPC1GAA
SCHEMBL7224174 0.61 KDM4E (0.45) ALDH1A1MAPTKDM4ENPC1GAA
SCHEMBL6289188 0.60 LMNA (0.50) ALDH1A1KDM4EPIK3CDLMNAPOLB
SCHEMBL14456070 0.58 HSP90AA1 (0.55) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL30009937 0.57 PTGS2 (0.66) ALDH1A1MAPTKDM4ENPC1LMNA
SCHEMBL404584 0.57 PTGS2 (0.66) ALDH1A1MAPTKDM4ENPC1LMNA

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 HTR2A 1570/4885HTR2C 967/4885HTR2B 767/4885

“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.