SCHEMBL2734926

SCHEMBL2734926

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.47
▸ SIRT2 Q8IXJ6 6/20 0.44
▸ SIRT1 Q96EB6 5/20 0.44
▸ SIRT3 Q9NTG7 3/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44

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
SCHEMBL12972289 1.00 PTPN1 (0.47) PTPN1SIRT2SIRT1SIRT3SIRT5
SCHEMBL26015705 0.93 TLR2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL13225452 0.92 TLR2 (0.49) PTPN1SIRT2SIRT1SIRT3
SCHEMBL13696901 0.92 TLR2 (0.49) PTPN1SIRT2SIRT1SIRT3
SCHEMBL15674187 0.91 PTPN1 (0.49) PTPN1SIRT2SIRT1SIRT3
SCHEMBL17807593 0.91 MDM2 (0.45) PTPN1SIRT2SIRT1SIRT3
SCHEMBL23253718 0.89 PTPN1 (0.50) PTPN1
SCHEMBL26015648 0.89 PTPN1 (0.44) PTPN1SIRT2SIRT1SIRT3SIRT5
SCHEMBL23286080 0.88 PTPN1 (0.45) PTPN1SIRT2SIRT1SIRT3SIRT5
SCHEMBL16450347 0.88 PTPN1 (0.48) PTPN1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524865-B2 Antibodies and immunoconjugates and uses therefor GENENTECH, INC. (US) 2013-09-03 — — US disclosed
US-8309300-B2 Cysteine engineered antibodies and conjugates GENENTECH, INC. (US) 2012-11-13 — — US disclosed
US-8088378-B2 Anti-CD79B antibodies and immunoconjugates and methods of use GENETECH INC. (US) 2012-01-03 — — US disclosed
US-7855275-B2 Cysteine engineered antibodies and conjugates GENENTECH, INC. (US) 2010-12-21 — — US disclosed
US-7723485-B2 engineered by replacing one or more amino acids of a parent anti-MUC16 antibody with non cross-linked, reactive cysteine amino acids; Cys engineered anti-MUC16 antibodies (Ab) containing a heavy chain sequence, conjugated with one or more drug moieties through a linker; diagnostic and therapeutic uses GENENTECH, INC. (US) 2010-05-25 — — US disclosed
US-20100003766-A1 screening cysteine engineered antibodies for thiol reactivity; using antibodies or antibody-drug conjugate compounds for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions; killing or inhibiting the proliferation of tumor or cancer cells GENENTECH, INC. (US) 2010-01-07 — — US disclosed
US-20090175865-A1 using antibodies and antibody-drug conjugate compounds for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions; killing or inhibiting the proliferation of tumor cells or cancer cells GENENTECH, INC. (US) 2009-07-09 — — US disclosed
US-7521541-B2 A free cysteine amino acid is a cysteine residue which has been engineered into the parent antibody and is not part of a disulfide bridge; diagnostics and therapeutics; killing or inhibiting the proliferation of tumor cells or cancer cells GENETECH INC. (US) 2009-04-21 — — US disclosed
US-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use GENENTECH, INC. (US) 2009-01-29 — — US disclosed
US-20080311134-A1 CYSTEINE ENGINEERED ANTI-MUC16 ANTIBODIES AND ANTIBODY DRUG CONJUGATES GENENTECH, INC. 2008-12-18 — — US disclosed
US-20080050310-A1 ANTIBODIES AND IMMUNOCONJUGATES AND USES THEREFOR GENENTECH, INC. (US) 2008-02-28 — — US disclosed
US-20070092940-A1 A free cysteine amino acid is a cysteine residue which has been engineered into the parent antibody and is not part of a disulfide bridge; diagnostics and therapeutics; killing or inhibiting the proliferation of tumor cells or cancer cells GENENTECH, INC. (US) 2007-04-26 — — 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-20080050310-A1 ANTIBODIES AND IMMUNOCONJUGATES AND USES THEREFOR CD22, CD2BP2, CD2 PTPN1 2617/4885SIRT2 2275/4885SIRT1 3456/4885
US-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use CD99, CD79B, CD47 PTPN1 1939/4885SIRT2 4595/4885SIRT1 4869/4885
US-20080311134-A1 CYSTEINE ENGINEERED ANTI-MUC16 ANTIBODIES AND ANTIBODY DRUG CONJUGATES MUC1, PDIA6, LNPEP PTPN1 1379/4885SIRT2 4495/4885SIRT1 4705/4885
US-20090175865-A1 using antibodies and antibody-drug conjugate compounds for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions; killing or inhibiting the proliferation of tumor cells or cancer cells ALB, LNPEP, CSTB PTPN1 657/4885SIRT2 4316/4885SIRT1 4605/4885
US-20070092940-A1 A free cysteine amino acid is a cysteine residue which has been engineered into the parent antibody and is not part of a disulfide bridge; diagnostics and therapeutics; killing or inhibiting the proliferation of tumor cells or cancer cells LNPEP, CSTB, ALB PTPN1 536/4885SIRT2 4136/4885SIRT1 4602/4885

“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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