SCHEMBL7216575

SCHEMBL7216575

C=Cc1ccc(C)cc1S(=O)(=O)n1cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11866678 0.75 KDM4E (0.47) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL750537 0.75 GAA (0.42) KMT2AL3MBTL1MEN1TSHRUSP2
SCHEMBL18952168 0.72 CA1 (0.53) CA1CA2KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1364805 0.66 CA1 (1.00) CA1CA2L3MBTL1HTTGAA
SCHEMBL20535401 0.66 RAPGEF4 (0.44) KMT2ASMN1; SMN2HTTGAARAPGEF4
SCHEMBL28929779 0.65 BRD4 (0.41) CA1CA2RAB9ANPC1
SCHEMBL6024620 0.65 RAPGEF4 (0.53) CA1CA2L3MBTL1TSHRRAPGEF4
SCHEMBL5084622 0.65 TDP1 (0.44) SMN1; SMN2HTTUSP2ALDH1A1TP53
SCHEMBL7639691 0.65 GAA (0.39) KMT2AL3MBTL1MEN1TSHRHTT
SCHEMBL19726884 0.64 TSHR (0.60) KMT2ASMN1; SMN2MEN1TSHRHTT

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-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-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 US disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 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 (2 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-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 CA1 2820/4885CA2 760/4885KMT2A 3128/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CA1 2160/4885CA2 972/4885KMT2A 3019/4885

“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.