SCHEMBL6288916

SCHEMBL6288916

COCN(c1nn(CCOC(C)=O)c(OC)c1-c1ccc2c(c1)OCO2)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
EDNRB P24530 9/20 0.38
EDNRA P25101 8/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCD5 Q86SK9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL7841944 0.76 TSHR (0.40) TSHREDNRBEDNRACYP19A1MAPK1
SCHEMBL6289722 0.73 HTR2A (0.38) TSHREDNRBEDNRALMNAMAPT
SCHEMBL6293272 0.72 EDNRB (0.40) EDNRBEDNRACYP19A1LMNAMAPT
SCHEMBL6289705 0.65 CYP19A1 (0.49) TSHREDNRBEDNRACYP19A1MAPK1
SCHEMBL7216623 0.64 CYP19A1 (0.42) EDNRBEDNRACYP19A1LMNAMAPT
SCHEMBL20610727 0.63 CYP3A4 (0.75) TSHREDNRAMAPTALDH1A1
SCHEMBL6289616 0.62 CYP19A1 (0.42) TSHREDNRBEDNRACYP19A1MAPT
SCHEMBL6289234 0.61 RIPK2 (0.44) TSHREDNRBEDNRAMAPTMAPK1
SCHEMBL6292691 0.61 PIK3CD (0.43) TSHREDNRBEDNRALMNAMAPT
SCHEMBL4631570 0.60 CYP3A4 (0.72) TSHRLMNAALDH1A1

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 TSHR 645/4885EDNRB 1/4885EDNRA 2/4885

“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.