Sugi Predict

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SCHEMBL19784348

SCHEMBL19784348

NC(=O)NCCCC(NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.66
▸ PTGER4 P35408 1/20 0.59
▸ CTSB P07858 1/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ TACR1 P25103 2/20 0.55
▸ FOLH1 Q04609 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54
▸ ITGB3 P05106 1/20 0.54
▸ ITGAV P06756 1/20 0.54
▸ ECE1 P42892 1/20 0.53
▸ GNPAT O15228 1/20 0.53

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
SCHEMBL30655973 1.00 CTSL (0.66) CTSLPTGER4CTSBCTSSCTSK
SCHEMBL9191297 0.92 FOLH1 (0.61) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL31084245 0.92 FOLH1 (0.61) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL25333274 0.92 FOLH1 (0.61) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL3381295 0.92 CTSL (0.64) CTSLPTGER4CTSBCTSSCTSK
SCHEMBL16847436 0.91 CTSL (0.55) CTSLPTGER4CTSBCTSSCTSK
SCHEMBL5841123 0.89 FOLH1 (0.67) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL30717889 0.89 CAPN1 (0.63) CTSLCTSBCTSSCTSK
SCHEMBL16847804 0.89 CTSL (0.53) CTSLPTGER4FOLH1SIRT2SIRT1
SCHEMBL18099937 0.89 CTSL (0.53) CTSLPTGER4CTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683327-B2 Compounds, linker-drugs and ligand-drug conjugates INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-16 — — US disclosed
US-10618935-B2 Antibody-drug conjugate (ADC) and method for forming the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-04-14 — — US disclosed
US-20190106459-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-04-11 — — US disclosed
US-10233212-B2 Compounds, linker-drugs and ligand-drug conjugates INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-03-19 — — US disclosed
US-20180016300-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-01-18 — — 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 (5 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-20180016300-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES SLC43A1, HCAR3, SLC7A1 CTSL 415/4885PTGER4 2389/4885CTSB 1421/4885
US-10683327-B2 Compounds, linker-drugs and ligand-drug conjugates SLC43A1, HCAR3, SLC7A1 CTSL 415/4885PTGER4 2389/4885CTSB 1421/4885
US-10233212-B2 Compounds, linker-drugs and ligand-drug conjugates SLC43A1, HCAR3, SLC7A1 CTSL 415/4885PTGER4 2389/4885CTSB 1421/4885
US-10618935-B2 Antibody-drug conjugate (ADC) and method for forming the same DNPEP, DLST, DDOST CTSL 744/4885PTGER4 4076/4885CTSB 2837/4885
US-20190106459-A1 COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES SLC43A1, HCAR3, SLC7A1 CTSL 415/4885PTGER4 2389/4885CTSB 1421/4885

“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.