SCHEMBL19125083

SCHEMBL19125083

O=C(NC(CCCN1CCOCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.58
ITGA2B P08514 5/20 0.58
SIRT2 Q8IXJ6 2/20 0.57
SIRT1 Q96EB6 2/20 0.57
CTSK P43235 2/20 0.51
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TPSAB1 Q15661 2/20 0.49
ITGAV P06756 2/20 0.48
FOLH1 Q04609 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTSL P07711 1/20 0.48
TACR2 P21452 1/20 0.48

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
SCHEMBL17444424 1.00 ITGB3 (0.58) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL27122575 0.93 ITGB3 (0.55) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL26966086 0.93 ITGB3 (0.55) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL17444420 0.91 SIRT2 (0.58) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL17444419 0.91 SIRT2 (0.58) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL27273354 0.86 SIRT2 (0.54) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL5967157 0.86 HRH1 (0.59) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL17448220 0.84 SIRT2 (0.54) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL21994627 0.82 ITGB3 (0.53) ITGB3ITGA2BSIRT2SIRT1CTSK
SCHEMBL19125526 0.82 ITGB3 (0.66) ITGB3ITGA2BITGAVMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169368-B1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC (CN) 2021-02-17 EP disclosed
CN-107427591-B Linker and its application to ADC 南京明德新药研发股份有限公司 2020-12-29 CN disclosed
US-10280229-B2 Linkers and their application towards ADC MEDSHINE DISCOVERY INC. (CN) 2019-05-07 US disclosed
US-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2017-07-20 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-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC DNPEP, DPP7, DPP3 ITGB3 2572/4885ITGA2B 2246/4885SIRT2 711/4885
US-10280229-B2 Linkers and their application towards ADC DNPEP, DPP7, DPP3 ITGB3 2572/4885ITGA2B 2246/4885SIRT2 711/4885

“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.