SCHEMBL7817931

SCHEMBL7817931

CC(C)(C)NC(=O)OC1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ CTSL P07711 3/20 0.33
▸ CTSS P25774 2/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGER1 P34995 1/20 0.32
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ FASN P49327 4/20 0.31
▸ MLNR O43193 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31

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
SCHEMBL7821456 0.89 KAT2B (0.39) DPP4EPHX1MAPK1CCNE1CDK2
SCHEMBL25595759 0.85 HDAC3 (0.35) DPP4EPHX1CCNE1CDK2GSK3B
SCHEMBL31629517 0.84 CCNE1 (0.35) PDE4DCTSLCTSSEPHX1MAPK1
SCHEMBL25946312 0.84 CCNE1 (0.35) PDE4DCTSLCTSSEPHX1MAPK1
SCHEMBL4264925 0.81 CTSL (0.36) PDE4DCTSLCTSSMAPK1MLNR
SCHEMBL2012110 0.81 CTSL (0.36) PDE4DCTSLCTSSMAPK1MLNR
SCHEMBL2012106 0.81 CTSL (0.36) PDE4DCTSLCTSSMAPK1MLNR
SCHEMBL13769143 0.80 KAT2B (0.40) PDE4DCTSLCTSSEPHX1MAPK1
SCHEMBL5986407 0.80 KAT2B (0.40) PDE4DCTSLCTSSEPHX1MAPK1
SCHEMBL7815595 0.79 EPHX1 (0.42) DPP4EPHX1CCNE1CDK2GSK3B

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
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 — — US disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 — — WO disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 — — WO disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US 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 (5 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP PDE4D 4399/4885DPP4 615/4885CTSL 262/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ PDE4D 2357/4885DPP4 225/4885CTSL 413/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS PDE4D 4409/4885DPP4 772/4885CTSL 307/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B PDE4D 2885/4885DPP4 2602/4885CTSL 3361/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP PDE4D 4399/4885DPP4 615/4885CTSL 262/4885

“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.

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