SCHEMBL6542002

SCHEMBL6542002

COc1ccc(S(=O)(=O)Nc2ccc(I)c(OCCN(C)C)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
UTS2R Q9UKP6 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
TSHR P16473 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL6541397 0.88 LMNA (0.64) LMNAHTTSMN1; SMN2UTS2RCA12
SCHEMBL6542745 0.87 LMNA (0.63) LMNAHTTSMN1; SMN2UTS2RCA12
SCHEMBL6542791 0.87 LMNA (0.63) LMNAHTTSMN1; SMN2UTS2RCA12
SCHEMBL5284607 0.87 LMNA (0.55) LMNAHTTSMN1; SMN2UTS2RCA12
SCHEMBL6038322 0.87 LMNA (0.55) LMNAHTTSMN1; SMN2UTS2RCA12
SCHEMBL6542040 0.86 CACNA1B (0.46) LMNAHTTSMN1; SMN2UTS2RALDH1A1
SCHEMBL6542655 0.85 PGR (0.51) LMNAHTTSMN1; SMN2UTS2RALDH1A1
SCHEMBL6542508 0.84 UTS2R (0.48) LMNAHTTSMN1; SMN2UTS2RALDH1A1
SCHEMBL6541270 0.82 PSEN1 (0.44) LMNAUTS2RMAPTCYP3A4
SCHEMBL6541406 0.82 LMNA (0.56) LMNAHTTSMN1; SMN2UTS2RCA12

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-1248607-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-06 EP claimed
US-20030100580-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-05-29 US claimed
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP claimed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
EP-1248607-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-06 EP disclosed
US-20030100580-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-05-29 US disclosed
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP disclosed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 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 (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-20030100580-A1 Urotensin-II receptor antagonists UTS2R, TMPRSS4, PLAUR LMNA 4591/4885HTT 2297/4885SMN1; SMN2 1872/4885

“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.