SCHEMBL6586893

SCHEMBL6586893

Cc1cc(C)c(S(N)(=O)=O)c(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.41
APEX1 P27695 2/20 0.40
CYP2C19 P33261 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
CA1 P00915 10/20 0.37
CA2 P00918 10/20 0.37
CA4 P22748 6/20 0.37
CA7 P43166 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CA9 Q16790 7/20 0.37
CA13 Q8N1Q1 5/20 0.37
CA6 P23280 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
CA12 O43570 3/20 0.37

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
SCHEMBL2932203 0.82 RAB9A (0.53) ALDH1A1KDM4ERAB9ALMNARAPGEF4
SCHEMBL8627896 0.81 RAPGEF4 (0.38) ALDH1A1KDM4ERAPGEF4CA1CA2
SCHEMBL30232570 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ALMNAAPEX1
SCHEMBL2933802 0.77 RAB9A (0.47) ALDH1A1KDM4ERAB9ALMNACYP2C19
Sulfuric Acid SCHEMBL8642015 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9ALMNATDP1
SCHEMBL5179012 0.75 LMNA (0.49) ALDH1A1KDM4ERAB9ALMNACA1
SCHEMBL20000082 0.74 KDM4E (0.46) ALDH1A1KDM4ERAB9ALMNAAPEX1
SCHEMBL6665063 0.74 RAB9A (0.43) ALDH1A1KDM4ERAB9ALMNARAPGEF4
SCHEMBL262306 0.72 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATDP1TP53
SCHEMBL5321971 0.72 CA2 (0.44) RAB9ALMNACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 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 (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-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 ALDH1A1 4434/4885KDM4E 2082/4885RAB9A 3939/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 ALDH1A1 4434/4885KDM4E 2082/4885RAB9A 3939/4885

“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.