SCHEMBL6093569

SCHEMBL6093569

C[C@@H](C[CH]C(=O)NCCN1CCN(S(=O)(=O)c2ccc(O[C@H]3CCNC3)c(Br)c2)CC1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.46
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6096149 0.96 UTS2R (0.50) UTS2RTSHRHTR6SLC5A7
SCHEMBL6097929 0.92 UTS2R (0.40) UTS2RPOLBHTR6KMT2AMEN1
SCHEMBL6839472 0.88 UTS2R (0.44) UTS2RPOLBKMT2AMEN1SLC5A7
SCHEMBL6192899 0.84 UTS2R (0.47) UTS2RTSHRPOLBMCOLN3HTR6
SCHEMBL6094514 0.83 HRH3 (0.40) TSHRPOLBKMT2AMEN1ALDH1A1
SCHEMBL6093572 0.83 UTS2R (0.49) UTS2RTSHRPOLBMCOLN3HTR6
SCHEMBL6093542 0.81 UTS2R (0.37) UTS2RTSHRKMT2ASLC5A7KDM4E
SCHEMBL6095100 0.80 UTS2R (0.46) UTS2RPOLBKMT2AMEN1ALDH1A1
SCHEMBL6742625 0.79 UTS2R (0.61) UTS2RHTR6
SCHEMBL6744780 0.79 UTS2R (0.61) UTS2RHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019008-B2 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
US-20050197345-A1 urotensin II receptor antagonists; cardiovascular disorders; vasodilating agents; Benzo[b]thiophene-2-carboxylic acid [(S)-1-(2-{4-[3-chloro-4-(piperidin-4-yloxy)-benzenesulfonyl]-piperazin-1-yl}-ethylcarbamoyl)-3-methyl-butyl]- SMITHKLINE BEECHAM CORPORATION 2005-09-08 US claimed
US-20040138224-A1 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-07-15 US 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-20040138224-A1 Pyrrolidine sulfonamides UTS2R, PRSS2, PRSS8 UTS2R 1/4885TSHR 1477/4885POLB 2866/4885
US-20050197345-A1 urotensin II receptor antagonists; cardiovascular disorders; vasodilating agents; Benzo[b]thiophene-2-carboxylic acid [(S)-1-(2-{4-[3-chloro-4-(piperidin-4-yloxy)-benzenesulfonyl]-piperazin-1-yl}-ethylcarbamoyl)-3-methyl-butyl]- UTS2R, PLAUR, NTSR2 UTS2R 1/4885TSHR 680/4885POLB 3443/4885

“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.