SCHEMBL6542508

SCHEMBL6542508

CN(C)CCOc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.48
CACNA1B Q00975 6/20 0.44
ESR1 P03372 1/20 0.44
CACNA1H O95180 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
AR P10275 1/20 0.42
NHERF1 O14745 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL6542040 0.91 CACNA1B (0.46) UTS2RCACNA1BCACNA1HLMNASMN1; SMN2
SCHEMBL6542669 0.86 UTS2R (0.53) UTS2RCACNA1BESR1CACNA1HMAPT
SCHEMBL6542002 0.84 LMNA (0.63) UTS2RMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6541270 0.84 PSEN1 (0.44) UTS2RCACNA1BCACNA1HMAPTLMNA
SCHEMBL6542655 0.81 PGR (0.51) UTS2RCACNA1BLMNASMN1; SMN2ALDH1A1
SCHEMBL6542621 0.80 ALDH1A1 (0.53) MAPTLMNAALDH1A1ARCYP1A2
SCHEMBL5284607 0.80 LMNA (0.55) UTS2RCACNA1BMAPTLMNASMN1; SMN2
SCHEMBL6038322 0.80 LMNA (0.55) UTS2RMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5329592 0.79 ALDH1A1 (0.43) UTS2RCACNA1BCACNA1HMAPTLMNA
SCHEMBL6542131 0.78 CDK1 (0.51) UTS2RMAPTLMNASMN1; SMN2ALDH1A1

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 UTS2R 1/4885CACNA1B 3290/4885ESR1 1325/4885

“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.