SCHEMBL8430877

SCHEMBL8430877

N[C@H](CCS)C(=O)Oc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
KIF11 P52732 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSC P53634 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.32
GAA P10253 4/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL28535887 0.94 KIF11 (0.36) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL58410 0.88 MMP2 (0.40) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL2009145 0.83 MMP1 (0.41) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL5801530 0.82 DPP7 (0.42) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL9355839 0.81 MARS1 (0.38) MMP1MMP2MMP9MMP12KIF11
SCHEMBL4350616 0.80 KIF11 (0.41) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL1897993 0.79 MMP1 (0.41) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL9878919 0.79 KIF11 (0.40) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL5680233 0.78 ALPI (0.51) SLC1A3SLC1A2SLC1A1CTSCHPGD
SCHEMBL29159324 0.78 MMP1 (0.40) MMP1MMP2MMP9MMP12SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417428-A1 POLYPEPTIDE FOR INHIBITING TRPM8 AND USE THEREOF ZHEJIANG UNIVERSITY (CN) 2024-12-19 US disclosed
EP-4188917-A1 PREPARATION OF ERDOSTEINE OR A DERIVATIVE THEREOF USING A CONTINUOUS FLOW PROCESS EDMOND PHARMA S.R.L. (IT) 2023-06-07 EP disclosed
WO-2022023929-A1 PREPARATION OF ERDOSTEINE OR A DERIVATIVE THEREOF USING A CONTINUOUS FLOW PROCESS EDMOND PHARMA S.R.L. (IT) 2022-02-03 WO disclosed
CN-104558119-B YAP albumen inhibits polypeptide and its application 上海宝恒泓康生物技术有限公司 2019-03-08 CN disclosed
CN-100404688-C High specificity homocysteine assays for biological samples ANTICANCER INC (US) 2008-07-23 CN disclosed
CN-1268978-A High specificity homocysteine assays for biological samples ANTICANCER INC (US) 2000-10-04 CN disclosed
US-6007792-A CHELATE COMPOUNDS LABELED WITH TECHNETIUM-99M, RHENIUM-186, OR RHENIUM-188; TUMOR IMAGING DIATIDE, INC. (US) 1999-12-28 US disclosed
EP-0820313-A2 RADIOLABELED PEPTIDES FOR DIAGNOSIS AND THERAPY Diatide, Inc. (US) 1998-01-28 EP disclosed
WO-1996030055-A2 RADIOLABELED PEPTIDES FOR DIAGNOSIS AND THERAPY DIATIDE, INC. (US) 1996-10-03 WO disclosed