SCHEMBL7212772

SCHEMBL7212772

Cc1cc(-c2cc(S(N)(=O)=O)ccc2-c2ccc(-c3ccccc3C(F)(F)F)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.52
PIK3CG P48736 7/20 0.52
PIK3CB P42338 6/20 0.52
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
PTGS2 P35354 3/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS1 P23219 2/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL7637660 0.82 CA2 (0.54) PIK3CDPIK3CGPIK3CBMAPTCA1
SCHEMBL7211610 0.81 CA2 (0.39) CA1CA2PTGS2CA12CA9
SCHEMBL7212785 0.79 PTGS2 (0.47) PIK3CDPIK3CGPIK3CBTP53POLB
SCHEMBL6151457 0.79 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPTGS2PTGS1
SCHEMBL7211481 0.76 PTGS2 (0.49) CA1CA2PTGS2CA12CA9
SCHEMBL1068744 0.76 PTGS1 (0.62) CA1CA2PTGS2CA12CA9
SCHEMBL7212753 0.75 EDNRA (0.57) TP53POLBMAPTKMT2ATSHR
Hydrochloric Acid SCHEMBL16015053 0.75 PTGS1 (0.60) CA1CA2PTGS2CA12CA9
SCHEMBL6721488 0.71 PTGS1 (0.56) CA1CA2PTGS2CA12CA9
SCHEMBL1068740 0.71 CA12 (0.50) CA1CA2PTGS2CA12CA9

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 PIK3CD 3918/4885PIK3CG 3883/4885PIK3CB 3579/4885

“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.