SCHEMBL5652939

SCHEMBL5652939

O=S(=O)(O)NCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
MAPT P10636 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 2/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 2/20 0.55
IDO1 P14902 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
FES P07332 1/20 0.54
RET P07949 1/20 0.54
MARK3 P27448 1/20 0.54
TYK2 P29597 1/20 0.54
FLT4 P35916 1/20 0.54
SYK P43405 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54

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
SCHEMBL14380633 0.82 CA2 (0.61) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL3597587 0.82 TSHR (0.60) CYP1A2MAPTCYP2D6CYP2C19TSHR
SCHEMBL6733057 0.81 TSHR (0.58) CYP1A2MAPTCYP2D6CYP2C19TSHR
SCHEMBL7011029 0.79 NAMPT (0.57) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL1876581 0.78 IDO1 (0.70) MAPTCYP2C19TSHRPOLBIDO1
SCHEMBL7419389 0.78 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL19827722 0.78 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL5656919 0.77 SMN1; SMN2 (0.58) ALDH1A1
SCHEMBL6050990 0.77 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19TSHRPOLB
SCHEMBL7416787 0.77 TSHR (0.55) CYP1A2CYP2D6CYP2C19TSHRPOLB

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
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP claimed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US claimed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP claimed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US claimed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP claimed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO claimed

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-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 CYP1A2 2379/4885MAPT 4294/4885CYP2D6 2744/4885

“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.