SCHEMBL18914850

SCHEMBL18914850

CC(C)C(NC(=O)CCCCCNC(=O)C(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 0.41
▸ SIRT1 Q96EB6 10/20 0.41
▸ SIRT3 Q9NTG7 6/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.40
▸ NPY4R P50391 3/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ FAP Q12884 1/20 0.37

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
SCHEMBL18823292 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18823291 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL21230049 0.92 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL25830938 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL23330252 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL23106472 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL26319897 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL22138818 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL20841069 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL18911016 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364303-B2 Cysteine engineered antibody drug conjugates PFIZER INC. (US) 2022-06-21 — — US disclosed
US-20200377615-A1 SITE SPECIFIC HER2 ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2020-12-03 — — US disclosed
US-10689458-B2 Site specific HER2 antibody drug conjugates PFIZER INC. (US) 2020-06-23 — — US disclosed
US-20200069764-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION PFIZER INC. (US) 2020-03-05 — — US disclosed
US-20190099499-A1 CYSTEINE ENGINEERED ANTIBODY DRUG CONJUGATES PFIZER (US) 2019-04-04 — — US disclosed
US-20170216452-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION PFIZER INC. 2017-08-03 — — US disclosed
US-20170151341-A1 SITE SPECIFIC HER2 ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2017-06-01 — — 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 (7 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-10689458-B2 Site specific HER2 antibody drug conjugates ERBB2, ERBB3, EGFR SIRT2 3786/4885SIRT1 4620/4885SIRT3 4517/4885
US-11364303-B2 Cysteine engineered antibody drug conjugates LNPEP, CTH, DNPEP SIRT2 3938/4885SIRT1 4548/4885SIRT3 3538/4885
US-20190099499-A1 CYSTEINE ENGINEERED ANTIBODY DRUG CONJUGATES LNPEP, CTH, DNPEP SIRT2 3938/4885SIRT1 4548/4885SIRT3 3538/4885
US-20170151341-A1 SITE SPECIFIC HER2 ANTIBODY DRUG CONJUGATES ERBB2, ERBB3, EGFR SIRT2 3786/4885SIRT1 4620/4885SIRT3 4517/4885
US-20170216452-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION DNPEP, PA2G4, CD2BP2 SIRT2 4564/4885SIRT1 4831/4885SIRT3 3858/4885
US-20200377615-A1 SITE SPECIFIC HER2 ANTIBODY DRUG CONJUGATES ERBB2, ERBB3, EGFR SIRT2 3786/4885SIRT1 4620/4885SIRT3 4517/4885
US-20200069764-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION DNPEP, PA2G4, CD2BP2 SIRT2 4564/4885SIRT1 4831/4885SIRT3 3858/4885

“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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