SCHEMBL1353299

SCHEMBL1353299

COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(O)cc3)CC2)cc1.COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ADRB1 P08588 1/20 0.62
ADRB3 P13945 1/20 0.62
LMNA P02545 5/20 0.62
GAA P10253 3/20 0.62
PKM P14618 2/20 0.62
ATM Q13315 1/20 0.61
HTT P42858 4/20 0.61
MAPK1 P28482 2/20 0.61
NPC1 O15118 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
MAPT P10636 1/20 0.58
POLB P06746 2/20 0.57

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
SCHEMBL1350186 0.96 MEN1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1350184 0.96 MEN1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1350109 0.96 ADRB1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2ADRB1
SCHEMBL1350111 0.96 ADRB1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2ADRB1
SCHEMBL1351181 0.91 ATM (0.66) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1351183 0.91 ATM (0.66) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1351928 0.84 NPC1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1351929 0.84 NPC1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3936533 0.82 LMNA (0.61) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1350520 0.82 LMNA (0.61) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110288104-A1 Beta-3 receptor ligands and their use in therapy ADRB3, ADRB2, ADRB1 MEN1 3963/4885KMT2A 4336/4885ALDH1A1 1882/4885

“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.