SCHEMBL205904

SCHEMBL205904

COC(=O)NCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ECE1 P42892 4/20 0.46
TSHR P16473 2/20 0.44
PLA2G2A P14555 1/20 0.42
ADRA1A P35348 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
LMNA P02545 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PRMT1 Q99873 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL628018 0.86 EPHX1 (0.57) EPHX1TSHRPLA2G2AADRA1AHTT
SCHEMBL4704932 0.84 ADRA1A (0.61) EPHX1TSHRPLA2G2AADRA1APOLB
SCHEMBL7123668 0.82 ADRA1A (0.64) EPHX1TSHRPLA2G2AADRA1APOLB
SCHEMBL9828955 0.82 ADRA1A (0.64) EPHX1TSHRPLA2G2AADRA1APOLB
SCHEMBL6473541 0.82 ADRA1A (0.64) EPHX1TSHRPLA2G2AADRA1APOLB
SCHEMBL3190326 0.81 EPHX1 (0.61) EPHX1TSHRTDP1ALDH1A1
SCHEMBL5949703 0.80 EPHX1 (0.50) EPHX1TSHRKDM4EALDH1A1
SCHEMBL13813999 0.80 TSHR (0.57) EPHX1TSHRHTTKDM4ELMNA
SCHEMBL7255174 0.79 HDAC3 (0.46) ECE1PLA2G2AHTTEGLN1
SCHEMBL22735084 0.79 ECE1 (0.42) ECE1TSHRPLA2G2AADRA1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-11786605-B2 Site specific antibody-drug conjugates with peptide-containing linkers MERSANA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
EP-4196228-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF Albert Einstein College of Medicine (US) 2023-06-21 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022036176-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-02-17 WO disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO disclosed
WO-2010039793-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-08 WO disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102568-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090099061-A1 SYNTHESIS OF CAROTENOID ANALOGS OR DERIVATIVES WITH IMPROVED ANTIOXIDANT CHARACTERISTICS CARDAX PHARMACEUTICALS, INC. 2009-04-16 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed
US-5466858-A Ruthenium catalyst, high selectivity with a carboxylic acid UBE INDUSTRIES, LTD. (JP) 1995-11-14 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 (2 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-11786605-B2 Site specific antibody-drug conjugates with peptide-containing linkers CD2BP2, DNPEP, LNPEP EPHX1 2454/4885ECE1 2337/4885TSHR 2332/4885
US-20090099061-A1 SYNTHESIS OF CAROTENOID ANALOGS OR DERIVATIVES WITH IMPROVED ANTIOXIDANT CHARACTERISTICS CAT, HBZ, POLL EPHX1 2995/4885ECE1 989/4885TSHR 3277/4885

“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.