SCHEMBL17801960

SCHEMBL17801960

NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(CCl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SIRT1 Q96EB6 5/20 0.32
▸ FAP Q12884 3/20 0.31
▸ SIRT2 Q8IXJ6 7/20 0.31
▸ SIRT3 Q9NTG7 3/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ PSEN1 P49768 1/20 0.30

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
SCHEMBL16847844 0.94 OPRM1 (0.33) ITGB1ITGA4OPRM1OPRD1OPRK1
SCHEMBL17813693 0.93 RAB9A (0.36) OPRM1OPRD1OPRK1SIRT1FAP
SCHEMBL22698603 0.92 SIRT2 (0.35) OPRM1OPRD1OPRK1SIRT1FAP
SCHEMBL21695294 0.92 HDAC3 (0.37) ITGB1ITGA4OPRM1OPRD1OPRK1
SCHEMBL17650868 0.92 HDAC3 (0.32) ITGB1ITGA4OPRM1OPRD1OPRK1
SCHEMBL20830828 0.91 SIRT2 (0.34) OPRM1OPRD1OPRK1SIRT1FAP
SCHEMBL19683931 0.91 SIRT2 (0.37) SIRT1FAPSIRT2SIRT3SIRT5
SCHEMBL28953170 0.90 SIRT2 (0.38) SIRT1FAPSIRT2SIRT3SIRT5
SCHEMBL17803640 0.88 PDF (0.38) EHMT2
SCHEMBL17803641 0.88 PDF (0.38) EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138128-A2 CEREBLON DEGRADER CONJUGATES, AND USES THEREOF GENENTECH, INC. (US) 2024-06-27 — — WO disclosed
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2023-05-16 — — US disclosed
CN-107206101-B Quaternary ammonium compounds and antibody-drug conjugates thereof 基因泰克公司 2021-06-25 — — CN disclosed
US-20200222545-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2020-07-16 — — US disclosed
US-10639378-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2020-05-05 — — US disclosed
US-20200087297-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2020-03-19 — — US disclosed
US-20200087297-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2020-03-19 — — US disclosed
US-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-02-11 — — US disclosed
US-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-02-11 — — US disclosed
US-20180125995-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2018-05-10 — — US disclosed
US-20170348422-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2017-12-07 — — US disclosed
EP-3226909-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF Genentech, Inc. (US) 2017-10-11 — — EP disclosed
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 — — US disclosed
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 — — US disclosed
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2017-08-17 — — US disclosed
WO-2016090040-A9 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2017-06-29 — — WO disclosed
WO-2016090040-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
WO-2016090050-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
WO-2016090050-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
WO-2016090038-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO 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 (8 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-20170348422-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE SHBG, EPCAM, ITGAV ITGB1 158/4885ITGA4 147/4885OPRM1 603/4885
US-20200222545-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE SHBG, EPCAM, ITGAV ITGB1 158/4885ITGA4 147/4885OPRM1 603/4885
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use SHBG, EPCAM, ITGAV ITGB1 158/4885ITGA4 147/4885OPRM1 603/4885
US-20170232113-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF H1-5, H1-4, CD47 ITGB1 828/4885ITGA4 873/4885OPRM1 2448/4885
US-10639378-B2 Silvestrol antibody-drug conjugates and methods of use SHBG, EPCAM, ITGAV ITGB1 158/4885ITGA4 147/4885OPRM1 603/4885
US-10556895-B2 Quaternary amine compounds and antibody-drug conjugates thereof H1-5, H1-4, CD47 ITGB1 828/4885ITGA4 873/4885OPRM1 2448/4885
US-20200087297-A1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF H1-5, H1-4, CD47 ITGB1 828/4885ITGA4 873/4885OPRM1 2448/4885
US-20180125995-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF RIF1, AFF1, RFT1 ITGB1 506/4885ITGA4 406/4885OPRM1 3840/4885

“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.

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