SCHEMBL6097929

SCHEMBL6097929

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.40
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HTR6 P50406 1/20 0.35
PKM P14618 1/20 0.35

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 0.96 UTS2R (0.44) UTS2RKMT2AMEN1LMNANPC1
SCHEMBL6093569 0.92 UTS2R (0.46) UTS2RKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6095100 0.88 UTS2R (0.46) UTS2RKMT2AMEN1NPC1POLB
SCHEMBL6096149 0.88 UTS2R (0.50) UTS2RHTR6
SCHEMBL6093542 0.86 UTS2R (0.37) UTS2RKMT2ASMN1; SMN2GAA
SCHEMBL6094514 0.84 HRH3 (0.40) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL6193969 0.84 UTS2R (0.40) UTS2RKMT2AMEN1LMNANPC1
SCHEMBL6097930 0.83 UTS2R (0.41) UTS2RKMT2AMEN1NPC1POLB
SCHEMBL6741280 0.80 UTS2R (0.55) UTS2RKMT2AMEN1LMNANPC1
SCHEMBL6839473 0.78 UTS2R (0.45) UTS2RKMT2AMEN1NPC1POLB

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 1/4885KMT2A 3608/4885MEN1 4069/4885
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 1/4885KMT2A 2937/4885MEN1 4670/4885

“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.