SCHEMBL6889409

SCHEMBL6889409

CN[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ATM Q13315 2/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL6963655 1.00 ALDH1A1 (0.56) ALDH1A1ATMMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL6889405 0.98 ALDH1A1 (0.55) ALDH1A1ATMMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL30878143 0.98 ALDH1A1 (0.55) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL9554893 0.89 ATM (0.53) ALDH1A1ATMMAPTL3MBTL1TDP1
Hydrochloric Acid SCHEMBL5090474 0.88 ATM (0.52) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL22692566 0.87 ALDH1A1 (0.58) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL19357488 0.87 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1TDP1MAPK1
SCHEMBL7332996 0.86 ALDH1A1 (0.53) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL7363365 0.86 ALDH1A1 (0.53) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL6982935 0.86 ALDH1A1 (0.56) ALDH1A1ATMMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023108286-A1 PYRIDOXAL-5-PHOSPHATE (P5P) ANALOGS CANAM BIORESEARCH INC. (CA) 2023-06-22 WO disclosed
EP-2890704-B1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 US disclosed
WO-2017098252-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 NUCANA BIOMED LIMITED (GB) 2017-06-15 WO disclosed
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2017-04-27 US disclosed
US-9556216-B2 2′-Ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160289259-A1 2'-Branched Nucleosides for Treatment of Viral Infections NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2015-08-20 US disclosed
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections NOVARTIS AG (CH) 2014-03-06 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed
EP-0537269-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS. VERTEX PHARMA (US) 1993-04-21 EP 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 (6 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-20160289259-A1 2'-Branched Nucleosides for Treatment of Viral Infections EIF2AK2, WNK1, OXSR1 ALDH1A1 2135/4885ATM 2859/4885MAPT 775/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH ALDH1A1 1309/4885ATM 3616/4885MAPT 2496/4885
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections EIF2AK2, WNK1, OXSR1 ALDH1A1 2135/4885ATM 2859/4885MAPT 775/4885
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, NEK5, ERN2 ALDH1A1 3720/4885ATM 2945/4885MAPT 1076/4885
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, ERN2, NEK5 ALDH1A1 3587/4885ATM 2970/4885MAPT 1074/4885
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 ALDH1A1 1558/4885ATM 1572/4885MAPT 4820/4885

“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.