SCHEMBL6097930

SCHEMBL6097930

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6839473 0.95 UTS2R (0.45) UTS2RNPSR1NPC1KMT2AMEN1
SCHEMBL6093572 0.92 UTS2R (0.49) UTS2RKMT2AMEN1SMN1; SMN2USP2
SCHEMBL6096152 0.87 UTS2R (0.54) UTS2RKMT2AMEN1POLB
SCHEMBL6093548 0.85 UTS2R (0.39) UTS2RNPSR1KMT2ASMN1; SMN2USP2
SCHEMBL6193969 0.84 UTS2R (0.40) UTS2RNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6094519 0.83 HRH3 (0.42) UTS2RKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6097929 0.83 UTS2R (0.40) UTS2RNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6095100 0.81 UTS2R (0.46) UTS2RNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6741282 0.79 UTS2R (0.58) UTS2RNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6839472 0.78 UTS2R (0.44) UTS2RNPC1KMT2AMEN1SMN1; SMN2

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 4 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-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 1/4885NPSR1 43/4885NPC1 3958/4885
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 1/4885NPSR1 25/4885NPC1 4247/4885

“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.