SCHEMBL6318357

SCHEMBL6318357

NS(=O)(=O)c1ccc(C2CO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.48
CA9 Q16790 11/20 0.48
CA12 O43570 8/20 0.48
CA1 P00915 15/20 0.46
CA5A P35218 6/20 0.46
CA7 P43166 6/20 0.46
CA5B Q9Y2D0 6/20 0.46
CA6 P23280 5/20 0.46
CA4 P22748 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA13 Q8N1Q1 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGO2 Q9UKV8 1/20 0.46
CA3 P07451 3/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL1583079 0.79 CHRM2 (0.50) TSHRCHRM2CHRM5CHRM3
SCHEMBL19126908 0.78 PTGES2 (0.45) CA2CA9CA12CA1CA5A
SCHEMBL46155 0.76 TSHR (0.72) TSHRCHRM2CHRM5CHRM3
SCHEMBL6302182 0.76 CHRM2 (0.67) TSHRALDH1A1CHRM2CHRM5CHRM3
SCHEMBL17688574 0.76 CHRM2 (0.48) TSHRCHRM2CHRM5CHRM3
SCHEMBL8214932 0.76 DRD2 (0.47)
SCHEMBL24452906 0.75 CA2 (0.59) CA2CA9CA1
SCHEMBL14185372 0.75 CHRM2 (0.50) CA2CA9CA12CA1TSHR
SCHEMBL8323422 0.74 CA2 (0.52) CA2CA9CA12CA1CA5A
SCHEMBL202948 0.74 CA2 (0.81) CA2CA9CA12CA1CA5A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 CA2 988/4885CA9 1320/4885CA12 2218/4885

“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.