SCHEMBL6093542

SCHEMBL6093542

C[C@@H](C[CH]C(=O)NCCN1CCN(S(=O)(=O)c2cc(Cl)c(OC3CCNCC3)c(Cl)c2)CC1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.37
HTR4 Q13639 2/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
CCR2 P41597 1/20 0.33
CCR3 P51677 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL6839472 0.90 UTS2R (0.44) UTS2RGAAKMT2ASMN1; SMN2SLC5A7
SCHEMBL6094514 0.87 HRH3 (0.40) ALDH1A1KMT2ASMN1; SMN2TSHRRECQL
SCHEMBL6097929 0.86 UTS2R (0.40) UTS2RGAAKMT2ASMN1; SMN2
SCHEMBL6739732 0.85 UTS2R (0.46) UTS2RGAAKMT2ASMN1; SMN2TGM2
SCHEMBL6096149 0.85 UTS2R (0.50) UTS2RSLC5A7TSHR
SCHEMBL6741196 0.83 UTS2R (0.48) UTS2RSMN1; SMN2TGM2
SCHEMBL6193475 0.83 UTS2R (0.38) UTS2RHTR4ALDH1A1HSD17B10KDM4E
SCHEMBL6095100 0.82 UTS2R (0.46) UTS2RALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL6093548 0.82 UTS2R (0.39) UTS2RHTR4ALDH1A1HSD17B10KDM4E
SCHEMBL6093569 0.81 UTS2R (0.46) UTS2RALDH1A1HSD17B10KDM4EUSP2

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
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 claimed
US-7019008-B2 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed
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 disclosed
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 1/4885HTR4 2888/4885ALDH1A1 2965/4885
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 1/4885HTR4 534/4885ALDH1A1 2398/4885

“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.