SCHEMBL13696901

SCHEMBL13696901

CCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.49
▸ SIRT2 Q8IXJ6 7/20 0.49
▸ SIRT1 Q96EB6 6/20 0.49
▸ SIRT3 Q9NTG7 3/20 0.49
▸ PTPN1 P18031 6/20 0.48
▸ SSTR3 P32745 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
SCHEMBL13225452 1.00 TLR2 (0.49) TLR2SIRT2SIRT1SIRT3PTPN1
SCHEMBL15674187 0.97 PTPN1 (0.49) TLR2SIRT2SIRT1SIRT3PTPN1
SCHEMBL23253718 0.94 PTPN1 (0.50) PTPN1
SCHEMBL12972289 0.92 PTPN1 (0.47) SIRT2SIRT1SIRT3PTPN1
SCHEMBL2734926 0.92 PTPN1 (0.47) SIRT2SIRT1SIRT3PTPN1
SCHEMBL14374823 0.89 MMP2 (0.54) TLR2
SCHEMBL16450347 0.88 PTPN1 (0.48) PTPN1
SCHEMBL23286080 0.87 PTPN1 (0.45) SIRT2SIRT1SIRT3PTPN1
SCHEMBL30518584 0.85 PTPN1 (0.45) SIRT2SIRT1PTPN1
SCHEMBL26015705 0.85 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3

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
US-20090226465-A1 MACROCYCLIC DEPSIPEPTIDE ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. 2009-09-10 — — US disclosed
US-20090117100-A1 Cysteine engineered anti-TENB2 antibodies and antibody drug conjugates GENENTECH, INC. 2009-05-07 — — US disclosed
US-20090068202-A1 Humanized Anti-CD79B Antibodies and Immunoconjugates and Methods of Use GENENTECH, INC. (US) 2009-03-12 — — US disclosed
US-20090068178-A1 Compositions and Methods for the Treatment of Tumor of Hematopoietic Origin GENENTECH, INC. (US) 2009-03-12 — — 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 (4 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-20090068178-A1 Compositions and Methods for the Treatment of Tumor of Hematopoietic Origin HCLS1, CD47, MCL1 TLR2 2930/4885SIRT2 4045/4885SIRT1 4339/4885
US-20090117100-A1 Cysteine engineered anti-TENB2 antibodies and antibody drug conjugates PCTP, LNPEP, SLC3A2 TLR2 533/4885SIRT2 3394/4885SIRT1 4813/4885
US-20090068202-A1 Humanized Anti-CD79B Antibodies and Immunoconjugates and Methods of Use CD99, CD79B, CD47 TLR2 3128/4885SIRT2 4692/4885SIRT1 4864/4885
US-20090226465-A1 MACROCYCLIC DEPSIPEPTIDE ANTIBODY-DRUG CONJUGATES AND METHODS APLNR, APMAP, CD22 TLR2 637/4885SIRT2 1367/4885SIRT1 1132/4885

“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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