SCHEMBL4836069

SCHEMBL4836069

O=S(=O)(Cl)c1ccccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.49
SLC6A4 P31645 10/20 0.49
KCNH2 Q12809 10/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPAS1 Q99814 1/20 0.44
KMO O15229 1/20 0.42
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
PGR P06401 1/20 0.40
SCN9A Q15858 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
AR P10275 1/20 0.39
TRPV4 Q9HBA0 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
SCHEMBL5682872 0.82 GAA (0.53) SLC6A4CYP2C19SCN9A
SCHEMBL7386055 0.81 TRPV4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3PGR
SCHEMBL30307015 0.81 TRPV4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3PGR
SCHEMBL6425430 0.80 TRPV4 (0.45) EPAS1PGRTRPV4
SCHEMBL997994 0.79 CASP1 (0.48) PGR
SCHEMBL7205989 0.78 TRPV4 (0.42) KCNH2PGRTRPV4
SCHEMBL31387938 0.78 TRPV4 (0.42) KCNH2PGRTRPV4
SCHEMBL926865 0.78 CA12 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL8360769 0.78 TSHR (0.41) SLC6A4SLC6A2SLC6A3CYP3A4EPAS1
SCHEMBL5682779 0.77 STS (0.46) SCN9APTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK HTR2A 1985/4885SLC6A4 3900/4885KCNH2 2743/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR HTR2A 576/4885SLC6A4 2788/4885KCNH2 2546/4885

“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.