SCHEMBL835379

SCHEMBL835379

CNC(=O)CCC(C)SSCCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.75
TUBB P07437 4/20 0.75
TUBA3C P0DPH7 4/20 0.75
TUBA1B P68363 4/20 0.75
TUBA4A P68366 4/20 0.75
TUBB4B P68371 4/20 0.75
TUBB3 Q13509 4/20 0.75
TUBB2A Q13885 4/20 0.75
TUBB8 Q3ZCM7 4/20 0.75
TUBA3E Q6PEY2 4/20 0.75
TUBA1A Q71U36 4/20 0.75
TUBA1C Q9BQE3 4/20 0.75
TUBB6 Q9BUF5 4/20 0.75
TUBB2B Q9BVA1 4/20 0.75
TUBB1 Q9H4B7 4/20 0.75
CYP2D6 P10635 1/20 0.71
TSHR P16473 1/20 0.71
CYP2C19 P33261 1/20 0.71
HIF1A Q16665 1/20 0.71
P4HB P07237 1/20 0.64

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
SCHEMBL25854280 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14130773 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13484555 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14264379 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13613391 1.00 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25853879 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25641711 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16996785 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25854199 0.95 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24226078 0.95 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-11696956-B2 Bicyclic peptide ligands specific for EphA2 BICYCLETX LIMITED (GB) 2023-07-11 US disclosed
US-20220133733-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD38 BICYCLERD LTD (GB) 2022-05-05 US disclosed
US-8722857-B2 Anti-CD79B antibodies and immunoconjugates and methods of use GENENTECH, INC. (US) 2014-05-13 US disclosed
US-8652479-B2 Antibody-drug conjugates and methods GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8466260-B2 Anti-FcRH5 antibodies and immunoconjugates and methods of use GENENTECH, INC. (US) 2013-06-18 US disclosed
US-8142784-B2 Antibody-drug conjugates and methods GENENTECH, INC. (US) 2012-03-27 US disclosed
US-8088378-B2 Anti-CD79B antibodies and immunoconjugates and methods of use GENETECH INC. (US) 2012-01-03 US disclosed
US-20100260748-A1 ANTI-FcRH5 ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-14 US disclosed
US-20100215669-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2010-08-26 US disclosed
US-20090202536-A1 ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. (US) 2009-08-13 US disclosed
US-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use GENENTECH, INC. (US) 2009-01-29 US disclosed
US-20080171040-A1 Maytansinoids linked to antibody which binds to ErbB receptor, or which binds tumor-associated antigens or cell-surface receptors GENENTECH, INC. (US) 2008-07-17 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-20090202536-A1 ANTIBODY-DRUG CONJUGATES AND METHODS ERBB2, EGFR, ERBB4 TUBB4A 1049/4885TUBB 1421/4885TUBA3C 1997/4885
US-20220133733-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR CD38 CD38, CD22, TIMCC TUBB4A 4364/4885TUBB 4236/4885TUBA3C 3344/4885
US-11696956-B2 Bicyclic peptide ligands specific for EphA2 EPHA2, EPHB2, ERBB2 TUBB4A 2251/4885TUBB 2165/4885TUBA3C 1515/4885
US-20100260748-A1 ANTI-FcRH5 ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE FCGR3B, FCGRT, FCGR1A TUBB4A 2535/4885TUBB 2712/4885TUBA3C 1054/4885
US-20100215669-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES AND METHODS OF USE CD99, CD79B, CD47 TUBB4A 231/4885TUBB 122/4885TUBA3C 345/4885
US-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use CD99, CD79B, CD47 TUBB4A 231/4885TUBB 122/4885TUBA3C 345/4885
US-20080171040-A1 Maytansinoids linked to antibody which binds to ErbB receptor, or which binds tumor-associated antigens or cell-surface receptors ERBB2, EGFR, ERBB4 TUBB4A 1372/4885TUBB 1593/4885TUBA3C 2748/4885

“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.