SCHEMBL2215085

SCHEMBL2215085

CC(C)(C)OC(=O)NC(CC1CCC(O)CC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.62
CTSK P43235 5/20 0.62
AAK1 Q2M2I8 2/20 0.47
IDO1 P14902 1/20 0.46
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL19825087 1.00 CTSS (0.62) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL1430069 1.00 CTSS (0.62) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL956167 0.94 CTSS (0.68) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL1351322 0.94 CTSS (0.68) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL956164 0.94 CTSS (0.68) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL1864395 0.89 CTSS (0.62) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL1864392 0.89 CTSS (0.62) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL24298421 0.88 CTSK (0.64) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL3814592 0.88 CTSK (0.68) CTSSCTSKAAK1IDO1KMT2A
SCHEMBL952036 0.88 CTSK (0.64) CTSSCTSKAAK1IDO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315746-B Tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2022-11-29 CN disclosed
CN-114929689-A Bcl-2 inhibitors 百济神州有限公司 2022-08-19 CN disclosed
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLGY (KR) 2022-08-09 US disclosed
EP-3674303-B1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME GWANGJU INST SCIENCE & TECH (KR) 2022-07-20 EP disclosed
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-05-27 US disclosed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 EP disclosed
CN-111315746-A Novel tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2020-06-19 CN disclosed
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists PFIZER INC. (US) 2019-09-05 US disclosed
EP-3491005-A1 CYCLIC PEPTIDES AS C5 A RECEPTOR ANTAGONISTS Pfizer Inc (US) 2019-06-05 EP disclosed
CN-109563136-A Cyclic peptide as C5a receptor antagonist 辉瑞公司 2019-04-02 CN disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
CN-101356156-A Aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2009-01-28 CN 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 (8 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSS 68/4885CTSK 123/4885AAK1 3289/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 CTSS 68/4885CTSK 123/4885AAK1 3289/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSS 68/4885CTSK 123/4885AAK1 3289/4885
US-11407763-B2 Tryptophan hydroxylase inhibitor and pharmaceutical composition including same TPH1, TPH2, IDO1 CTSS 1720/4885CTSK 2657/4885AAK1 878/4885
US-20210155634-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME TPH1, TPH2, IDO1 CTSS 1838/4885CTSK 2844/4885AAK1 883/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSS 71/4885CTSK 126/4885AAK1 3406/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSS 68/4885CTSK 123/4885AAK1 3289/4885
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists C3AR1, C5AR1, C5AR2 CTSS 1540/4885CTSK 1530/4885AAK1 2144/4885

“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.