SCHEMBL1852852

SCHEMBL1852852

COC(CNCC(=O)O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.40
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CTH P32929 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL19538076 0.83 POLB (0.40) EGLN1TSHRALDH1A1LMNATDP1
SCHEMBL21946049 0.82 TSHR (0.40) TSHRALDH1A1LMNAMAPTSLC6A2
SCHEMBL7826698 0.80 MAOA (0.36) ALDH1A1TDP1SLC6A2SLC6A4MEN1
SCHEMBL6627746 0.80 EGLN1 (0.39) EGLN1TSHRALDH1A1LMNAMAPT
SCHEMBL6896024 0.78 EGLN1 (0.38) EGLN1TSHRALDH1A1LMNAMAPT
SCHEMBL7015641 0.77 EGLN1 (0.55) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL7441120 0.75 GAA (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL7290876 0.74
SCHEMBL27866694 0.74 APAF1 (0.38) SLC6A2SLC6A4MEN1KMT2ASLC1A3
SCHEMBL7285688 0.74 CA2 (0.37) MEN1KMT2ACYP2D6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113769086-A Targeted therapeutic drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-10 CN claimed
CN-113750257-A Tumor targeted imaging material, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN claimed
CN-113750247-A Tumor targeting drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN claimed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
CN-113769086-A Targeted therapeutic drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-10 CN disclosed
CN-113750257-A Tumor targeted imaging material, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN disclosed
CN-113750247-A Tumor targeting drug, preparation method and application thereof 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-07 CN disclosed
CN-110573499-A inhibitors of α v β 6 integrin 莫菲克医疗股份有限公司 2019-12-13 CN disclosed
US-8524691-B2 Phosphonated rifamycins and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2013-09-03 US disclosed
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2011-07-21 US disclosed
EP-2324041-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Corp. (US) 2011-05-25 EP disclosed
WO-2010019511-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2010-02-18 WO disclosed
EP-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 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 (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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH EGLN1 3637/4885TSHR 4317/4885ALDH1A1 3493/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV EGLN1 3449/4885TSHR 2000/4885ALDH1A1 1727/4885

“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.