SCHEMBL4085154

SCHEMBL4085154

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.45
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 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
SCHEMBL28577976 0.96 MGLL (0.50) MGLLTDP1CA1CA2POLB
SCHEMBL24350075 0.86 NPC1 (0.54) TDP1CA1CA2POLBMEN1
SCHEMBL1760150 0.86 HDAC1 (0.49) TDP1CA1CA2MEN1GAA
SCHEMBL1929771 0.86 SIGMAR1 (0.52) TDP1CA1CA2MEN1GAA
SCHEMBL30905400 0.84 POLB (0.67) MGLLTDP1CA1CA2POLB
SCHEMBL13114818 0.84 CA1 (0.46) TDP1CA1CA2MEN1GAA
SCHEMBL21221559 0.83 CYP4A11 (0.57) MGLLTDP1CA1CA2POLB
SCHEMBL2333929 0.82 CYP4A11 (0.58) MGLLTDP1CA1CA2POLB
SCHEMBL7490983 0.82 CA12 (0.65) MGLLTDP1CA1CA2CA12
SCHEMBL10322699 0.82 L3MBTL1 (0.53) TDP1CA1CA2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 US disclosed
US-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-03-02 US disclosed
EP-4089079-A1 ROR GAMMA T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
EP-4089080-A1 RORyT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 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 (3 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR MGLL 1789/4885TDP1 4484/4885CA1 4489/4885
US-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA MGLL 3710/4885TDP1 4624/4885CA1 873/4885
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA MGLL 3505/4885TDP1 4582/4885CA1 1527/4885

“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.