SCHEMBL6093953

SCHEMBL6093953

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
USP5 P45974 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL6744737 0.95 UTS2R (0.53) UTS2RSMN1; SMN2PKMHTTMAPT
SCHEMBL6741883 0.95 UTS2R (0.53) UTS2RSMN1; SMN2PKMHTTMAPT
SCHEMBL6741634 0.89 UTS2R (0.48) UTS2RSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6608407 0.86 UTS2R (0.64) UTS2RPOLBHTR2C
SCHEMBL6739733 0.86 UTS2R (0.47) UTS2RSMN1; SMN2PKMHTTMAPT
SCHEMBL6094519 0.84 HRH3 (0.42) UTS2RSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6741282 0.83 UTS2R (0.58) UTS2RSMN1; SMN2KMT2AMEN1GAA
SCHEMBL6741197 0.82 UTS2R (0.52) UTS2RSMN1; SMN2POLBHTR2C
SCHEMBL6744784 0.81 UTS2R (0.70) UTS2RHTR2C
SCHEMBL6742628 0.81 UTS2R (0.70) UTS2RHTR2C

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 9 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
EP-1379503-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078707-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002079155-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 UTS2R 1/4885SMN1; SMN2 2258/4885PKM 2160/4885
US-20040138224-A1 Pyrrolidine sulfonamides UTS2R, PRSS2, PRSS8 UTS2R 1/4885SMN1; SMN2 1697/4885PKM 2636/4885
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 1/4885SMN1; SMN2 2254/4885PKM 2018/4885

“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.