SCHEMBL4179836

SCHEMBL4179836

O=C(NC1(C(=O)O)CCC1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.62
CTSL P07711 4/20 0.62
CTSB P07858 3/20 0.62
CTSK P43235 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MGLL Q99685 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 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
SCHEMBL1151498 0.97 CTSS (0.65) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8981228 0.95 CTSS (0.67) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8981223 0.95 CTSS (0.67) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8981148 0.95 CTSS (0.67) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL8981271 0.95 CTSS (0.67) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL1839379 0.95 CTSS (0.67) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL143763 0.94 CTSS (0.57) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL18398659 0.88 CTSS (0.54) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL1810276 0.88 CTSS (0.54) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL1809108 0.88 CTSS (0.51) CTSSCTSLCTSBCTSKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 WO disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 CN disclosed
EP-3765447-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS Kezar Life Sciences (US) 2021-01-20 EP disclosed
EP-2934518-B1 SPIROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME (US) 2020-02-19 EP disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed
US-9717714-B2 Spirocyclic CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
WO-2017109088-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-06-29 WO disclosed
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-03 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20090170937-A1 Amino Acid Derivatives PROXIMAGEN LTD. (GB) 2009-07-02 US disclosed
US-7550622-B2 Cycloalkylamidoacid compounds, processes for making and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
EP-1981901-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-10-22 EP disclosed
WO-2007091017-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-08-16 WO disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 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 (4 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-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 CTSS 1446/4885CTSL 4010/4885CTSB 2518/4885
US-20150342931-A1 SPIROCYCLIC CETP INHIBITORS CETP, MTTP, LCAT CTSS 767/4885CTSL 949/4885CTSB 1182/4885
US-20090170937-A1 Amino Acid Derivatives PARK7, PRMT7, ADCY7 CTSS 2755/4885CTSL 3304/4885CTSB 2722/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CTSS 920/4885CTSL 736/4885CTSB 473/4885

“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.