SCHEMBL1350520

SCHEMBL1350520

COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
GAA P10253 2/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL3936533 1.00 LMNA (0.61) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1352768 0.90 ALDH1A1 (0.59) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1351772 0.88 ALDH1A1 (0.52) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1351495 0.88 ALDH1A1 (0.61) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1350184 0.86 MEN1 (0.73) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1350186 0.86 MEN1 (0.73) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1350523 0.86 ALDH1A1 (0.58) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1351928 0.83 NPC1 (0.63) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1351929 0.83 NPC1 (0.63) LMNAGAAPKMALDH1A1MAPT
SCHEMBL1353299 0.82 MEN1 (0.68) LMNAGAAPKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759540-A2 Beta-3 receptor ligands and their use in therapy Universita' Degli Studi di Bari (IT) 2014-07-30 EP claimed
US-8354412-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2013-01-15 US claimed
US-20110288104-A1 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-11-24 US claimed
US-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNVERSITA' DEGLI STUDI DI BARI (IT) 2010-03-25 US claimed
EP-2759540-A2 Beta-3 receptor ligands and their use in therapy Universita' Degli Studi di Bari (IT) 2014-07-30 EP disclosed
US-8354412-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2013-01-15 US disclosed
US-20110288104-A1 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-11-24 US disclosed
US-8017613-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-09-13 US disclosed
US-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNVERSITA' DEGLI STUDI DI BARI (IT) 2010-03-25 US disclosed
EP-2046722-A2 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY Universita' Degli Studi di Bari (IT) 2009-04-15 EP disclosed
WO-2008015558-A2 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNIVERSITA' DEGLI STUDI DI BARI (IT) 2008-02-07 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 (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-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY ADRB3, ADRB2, ADRB1 LMNA 1156/4885GAA 3398/4885PKM 3729/4885
US-20110288104-A1 Beta-3 receptor ligands and their use in therapy ADRB3, ADRB2, ADRB1 LMNA 1156/4885GAA 3398/4885PKM 3729/4885

“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.