SCHEMBL1096718

SCHEMBL1096718

CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
MTOR P42345 1/20 0.40
NR4A2 P43354 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
HTT P42858 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL994016 1.00 MMP13 (0.41) MMP13MTORNR4A2CTSSCTSK
SCHEMBL1096720 1.00 MMP13 (0.41) MMP13MTORNR4A2CTSSCTSK
SCHEMBL15723420 0.88 SRC (0.36) MMP13CTSSCTSKL3MBTL1SRC
SCHEMBL26409828 0.88 TRPM8 (0.44) MMP13MTORCTSSCTSKGAA
SCHEMBL20556352 0.88 SRC (0.36) MMP13CTSSCTSKL3MBTL1SRC
SCHEMBL25169590 0.86 TXNRD1 (0.36) MMP13CTSSCTSKGAAHTT
SCHEMBL1096980 0.86 KMT2A (0.47) MMP13MTORCTSSCTSKNR1H2
SCHEMBL25169591 0.86 TXNRD1 (0.36) MMP13CTSSCTSKGAAHTT
SCHEMBL1096979 0.86 KMT2A (0.47) MMP13MTORCTSSCTSKNR1H2
SCHEMBL30466250 0.85 NPSR1 (0.42) MMP13L3MBTL1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552770-B2 Compounds for treating respiratory disease TMEM16A LIMITED (GB) 2026-02-17 US disclosed
CN-114269721-B Compounds for the treatment of respiratory diseases TMEM16A有限公司 2024-12-20 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023078410-A1 COMPOUND HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF 上海美志医药科技有限公司 2023-05-11 WO disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
CN-114269721-A Compounds for the treatment of respiratory diseases TMEM16A有限公司 2022-04-01 CN disclosed
US-8153654-B2 2012-04-10 US disclosed
EP-2252589-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Aerie Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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 (4 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-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME COQ8A, MAP3K7, PRKG2 MMP13 1925/4885MTOR 127/4885NR4A2 4480/4885
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA MMP13 53/4885MTOR 1973/4885NR4A2 4215/4885
US-12552770-B2 Compounds for treating respiratory disease TMEM109, SCN1A, SLC16A1 MMP13 4021/4885MTOR 1883/4885NR4A2 910/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 MMP13 1925/4885MTOR 127/4885NR4A2 4480/4885

“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.