SCHEMBL6093947

SCHEMBL6093947

C[C@@H](C[CH]C(=O)NC1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)cc2)CC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
UTS2R Q9UKP6 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TGM6 O95932 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
USP5 P45974 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL6741880 0.95 UTS2R (0.44) SMN1; SMN2MAPTUTS2RPKMHTT
SCHEMBL6744733 0.95 UTS2R (0.44) SMN1; SMN2MAPTUTS2RPKMHTT
SCHEMBL6741630 0.89 UTS2R (0.46) SMN1; SMN2MAPTUTS2RMEN1KMT2A
SCHEMBL6739732 0.86 UTS2R (0.46) SMN1; SMN2UTS2RPKMMEN1KMT2A
SCHEMBL6094514 0.85 HRH3 (0.40) SMN1; SMN2MAPTMEN1KMT2ATGM2
SCHEMBL6741280 0.84 UTS2R (0.55) SMN1; SMN2UTS2RMEN1KMT2AGAA
SCHEMBL6741196 0.83 UTS2R (0.48) SMN1; SMN2UTS2RTGM2POLBHTR2C
SCHEMBL6742625 0.82 UTS2R (0.61) UTS2RHTR2C
SCHEMBL6744780 0.82 UTS2R (0.61) UTS2RHTR2C
SCHEMBL6093953 0.81 UTS2R (0.48) SMN1; SMN2MAPTUTS2RPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1381365-A4 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP disclosed
US-20040152692-A1 Urotensin antagonist; therapy for congestive heart failure; antiischemic agents; cardiovascular disorders; strokes; hypotensive agents; respiratory system disorders; restenosis; antiinflammatory agents; psychological disorders SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
US-20040138224-A1 Pyrrolidine sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-07-15 US disclosed
EP-1381365-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-21 EP disclosed
WO-2002078707-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 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 (3 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-20040152692-A1 Urotensin antagonist; therapy for congestive heart failure; antiischemic agents; cardiovascular disorders; strokes; hypotensive agents; respiratory system disorders; restenosis; antiinflammatory agents; psychological disorders UTS2R, PLAUR, SERPINE1 SMN1; SMN2 2258/4885MAPT 3667/4885UTS2R 1/4885
US-20040138224-A1 Pyrrolidine sulfonamides UTS2R, PRSS2, PRSS8 SMN1; SMN2 1697/4885MAPT 2548/4885UTS2R 1/4885
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 SMN1; SMN2 2254/4885MAPT 3297/4885UTS2R 1/4885

“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.