SCHEMBL20830828

SCHEMBL20830828

BOCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C2(C(=O)NCCCCCN3C(=O)C=CC3=O)CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.34
▸ SIRT1 Q96EB6 11/20 0.34
▸ SIRT3 Q9NTG7 3/20 0.34
▸ SIRT5 Q9NXA8 3/20 0.34
▸ FAP Q12884 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL22698603 0.94 SIRT2 (0.35) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL20831162 0.92 SIRT2 (0.36) SIRT2SIRT1SIRT3SIRT5
SCHEMBL19683931 0.92 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL28953170 0.92 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL16847844 0.91 OPRM1 (0.33) SIRT2SIRT1SIRT3FAPOPRM1
SCHEMBL17801960 0.91 ITGB1 (0.34) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL17813693 0.90 RAB9A (0.36) SIRT2SIRT1SIRT3FAPOPRM1
SCHEMBL21695294 0.89 HDAC3 (0.37) SIRT2SIRT1FAPOPRM1OPRD1
SCHEMBL17650868 0.89 HDAC3 (0.32) SIRT2SIRT1FAPOPRM1OPRD1
SCHEMBL26559935 0.89 OPRM1 (0.36) SIRT2SIRT1SIRT3SIRT5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE GENENTECH, INC. 2023-10-19 — — US disclosed
US-11666581-B2 PROTAC antibody conjugates and methods of use GENENTECH, INC. (US) 2023-06-06 — — US disclosed
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE GENENTECH, INC. (US) 2023-03-02 — — US disclosed
US-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-04-28 — — US disclosed
US-20190175612-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE GENENTECH, INC. 2019-06-13 — — US disclosed
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2019-03-21 — — 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 (6 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-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE PSMA3, PSMA6, PSMA2 SIRT2 3592/4885SIRT1 3425/4885SIRT3 3676/4885
US-20190175612-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE PSMA3, PSMA6, PSMA2 SIRT2 3592/4885SIRT1 3425/4885SIRT3 3676/4885
US-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, BCR SIRT2 3885/4885SIRT1 3409/4885SIRT3 4270/4885
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE ADRM1, SSB, FCER2 SIRT2 3357/4885SIRT1 2691/4885SIRT3 3443/4885
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR SIRT2 3885/4885SIRT1 3409/4885SIRT3 4270/4885
US-11666581-B2 PROTAC antibody conjugates and methods of use PSMA3, PSMA6, PSMA2 SIRT2 3592/4885SIRT1 3425/4885SIRT3 3676/4885

“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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