SCHEMBL5458875

SCHEMBL5458875

COC(=O)c1ccc(C2CCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RIPK1 Q13546 1/20 0.47
UCHL1 P09936 1/20 0.46
USP30 Q70CQ3 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PDE4B Q07343 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1653727 0.96 NPC1 (0.52) NPC1RIPK1UCHL1USP30HDAC1
SCHEMBL2130466 0.88 NPC1 (0.48) NPC1RIPK1UCHL1NR1H2NR1H3
SCHEMBL4967031 0.87 RIPK1 (0.49) NPC1RIPK1UCHL1NR1H2NR1H3
SCHEMBL18406194 0.87 NPC1 (0.59) NPC1RIPK1UCHL1ABL1RIN1
SCHEMBL29328205 0.87 NR1H2 (0.44) NPC1RIPK1UCHL1USP30HDAC1
SCHEMBL26693383 0.86 GPR119 (0.52) NPC1RIPK1UCHL1PDE4BABL1
SCHEMBL16400485 0.86 GAA (0.43) NPC1RIPK1ALDH1A1GAAHPGD
SCHEMBL31056656 0.86 NR1H2 (0.46) NPC1RIPK1UCHL1USP30HDAC1
SCHEMBL38656191 0.85 RIPK1 (0.50) NPC1RIPK1UCHL1USP30ALDH1A1
SCHEMBL38655765 0.85 RIPK1 (0.50) NPC1RIPK1UCHL1USP30ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 US disclosed
EP-4089080-A1 RORyT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
CN-114008026-A Benzopyrazoles and pyridopyrazoles as protein kinase inhibitors 罗达制药生物技术有限责任公司 2022-02-01 CN disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 NPC1 2707/4885RIPK1 260/4885UCHL1 3286/4885
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA NPC1 1325/4885RIPK1 1107/4885UCHL1 4244/4885

“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.