SCHEMBL6141374

SCHEMBL6141374

COc1ccc(CN2C(=O)CN(c3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)NCCc4ccc(CC(=O)O)cc4)cc3)S2(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 2/20 0.42
▸ SRC P12931 1/20 0.41
▸ CAPN1 P07384 1/20 0.39
▸ MMP3 P08254 3/20 0.39
▸ CTSL P07711 1/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL1732916 0.92 PTPN1 (0.44) LCKPTPN1KMT2ATSHRSRC
SCHEMBL1732917 0.92 PTPN1 (0.44) LCKPTPN1KMT2ATSHRSRC
SCHEMBL1732761 0.88 PTPN1 (0.54) PTPN1KMT2ATSHRSRCALDH1A1
SCHEMBL1732762 0.88 PTPN1 (0.54) PTPN1KMT2ATSHRSRCALDH1A1
SCHEMBL1732710 0.88 ADORA2A (0.49) LCKKMT2ATSHRMMP3MMP1
SCHEMBL1732712 0.88 ADORA2A (0.49) LCKKMT2ATSHRMMP3MMP1
SCHEMBL6282167 0.85 PTPN1 (0.62) PTPN1CTSL
SCHEMBL1732763 0.85 TACR1 (0.44) LCKTSHRMMP3CTSLMMP1
SCHEMBL1731003 0.85 TACR1 (0.44) LCKTSHRMMP3CTSLMMP1
SCHEMBL1732438 0.83 PTPN1 (0.53) PTPN1TSHR

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
EP-1492780-A1 5-SUBSTITUTED 1,1-DIOXO-[1,2,5]THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS Novartis AG (CH) 2005-01-05 — — EP disclosed
WO-2003082841-A1 5-SUBSTITUTED 1,1-DIOXO-`1,2,5!THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2003-10-09 — — WO disclosed
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