SCHEMBL7211610

SCHEMBL7211610

Cc1noc(-c2cc(S(N)(=O)=O)ccc2-c2ccc(-c3ccccc3C(F)(F)F)cc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
PTGS2 P35354 6/20 0.38
PTGS1 P23219 4/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LRRK2 Q5S007 1/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 1/20 0.36
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7337092 0.83 CA2 (0.44) CA2CA9CA1CA12PTGS2
SCHEMBL6151082 0.83 CA2 (0.53) CA2CA9CA1CA12PTGS2
SCHEMBL6151972 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6151298 0.81 CA2 (0.46) CA2CA9CA1CA12PTGS2
SCHEMBL7212772 0.81 PIK3CD (0.52) CA2CA9CA1CA12PTGS2
SCHEMBL7211619 0.79 PTGS2 (0.46) CA2CA9CA1CA12PTGS2
SCHEMBL27492675 0.79 CA2 (0.44) CA2CA9CA1CA12PTGS2
SCHEMBL6151274 0.77 CA2 (0.50) CA2CA9CA1CA12PTGS2
SCHEMBL6151353 0.77 CA2 (0.51) CA2CA9CA1CA12PTGS2
SCHEMBL7217791 0.75 EDNRB (0.69) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US 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-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CA2 972/4885CA9 2242/4885CA1 2160/4885

“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.