SCHEMBL14338698

SCHEMBL14338698

CC(C)(C)OC(=O)NC(CO)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.59
CTSS P25774 4/20 0.59
ATM Q13315 1/20 0.57
SYK P43405 1/20 0.51
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
APP P05067 2/20 0.47
ACE P12821 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL3842588 1.00 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL7696221 1.00 CTSK (0.59) CTSKCTSSATMSYKCTSL
SCHEMBL7729227 0.95 CTSK (0.55) CTSKCTSSATMSYKCTSL
SCHEMBL7375068 0.95 CTSK (0.55) CTSKCTSSATMSYKCTSL
SCHEMBL13198524 0.92 ATM (0.55) CTSKCTSSATMSYKCTSL
SCHEMBL7375856 0.91 CTSK (0.51) CTSKCTSSATMSYKCTSL
SCHEMBL25842742 0.89 CTSK (0.54) CTSKCTSSATMSYKCTSL
SCHEMBL21715604 0.88 CTSK (0.56) CTSKCTSSATMSYKCTSL
SCHEMBL18653949 0.88 CTSK (0.58) CTSKCTSSATMSYKCTSL
SCHEMBL4727222 0.88 CTSK (0.58) CTSKCTSSATMSYKCTSL

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-11365207-B2 Sulfur-containing polycyclic-hydroxypyridone carboxamide analog against HIV MO, Yunfen (CN) 2022-06-21 US disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed
US-20200361960-A1 SULFUR-CONTAINING POLYCYCLIC-HYDROXYPYRIDONE CARBOXAMIDE ANALOG AGAINST HIV MO, Yunfen 2020-11-19 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-7309721-B2 Immunosuppressants for treating diseases and conditions of bone marrow, organ and tissue transplant rejection; chemotherapeutic drug for cancers; antiinflammatory agents for rheumatoid arthritis; activate the production of lymphocyte; 2-Amino-4-(4-(octylphenyl))butanol, O-phosphate MERCK + CO., INC. (US) 2007-12-18 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 (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-11365207-B2 Sulfur-containing polycyclic-hydroxypyridone carboxamide analog against HIV TBK1, TYMP, TST CTSK 3958/4885CTSS 2337/4885ATM 3401/4885
US-20200361960-A1 SULFUR-CONTAINING POLYCYCLIC-HYDROXYPYRIDONE CARBOXAMIDE ANALOG AGAINST HIV TYMP, MAVS, DHPS CTSK 3544/4885CTSS 1850/4885ATM 3637/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CTSK 2891/4885CTSS 2246/4885ATM 3774/4885

“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.