SCHEMBL378525

SCHEMBL378525

CCCCC(NC(=O)CBr)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 13/20 0.58
HDAC2 Q92769 1/20 0.50
ASAH1 Q13510 1/20 0.47
SLC6A5 Q9Y345 2/20 0.47
CA2 P00918 1/20 0.44
GNPAT O15228 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
SCHEMBL9831561 0.85 NOD1 (0.62) NOD1HDAC2SLC6A5CA2GNPAT
SCHEMBL6668178 0.85 NOD1 (0.62) NOD1HDAC2SLC6A5CA2GNPAT
SCHEMBL9469762 0.84 NOD1 (0.67) NOD1HDAC2SLC6A5GNPAT
SCHEMBL9469765 0.84 NOD1 (0.67) NOD1HDAC2SLC6A5GNPAT
SCHEMBL9831553 0.83 NOD1 (0.75) NOD1HDAC2SLC6A5GNPAT
SCHEMBL1006347 0.83 NOD1 (0.60) NOD1HDAC2SLC6A5CA2GNPAT
SCHEMBL31039943 0.83 NOD1 (0.70) NOD1HDAC2SLC6A5GNPAT
SCHEMBL9831556 0.83 NOD1 (0.75) NOD1HDAC2SLC6A5GNPAT
SCHEMBL7176522 0.81 NOD1 (0.58) NOD1HDAC2SLC6A5CA2GNPAT
SCHEMBL7176520 0.81 NOD1 (0.58) NOD1HDAC2SLC6A5CA2GNPAT

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
EP-3082872-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-12-09 EP disclosed
US-20200157240-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2020-05-21 US disclosed
US-20160310611-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC. (US) 2016-10-27 US disclosed
EP-3082872-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF Genentech, Inc. (US) 2016-10-26 EP disclosed
EP-2357006-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-09-16 EP disclosed
WO-2015095124-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC. (US) 2015-06-25 WO disclosed
EP-2353611-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-05-13 EP disclosed
US-8906376-B2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS, INC. (US) 2014-12-09 US disclosed
EP-1545613-B9 AURISTATIN CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS INC (US) 2012-01-25 EP disclosed
US-20030162953-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY 2003-08-28 US disclosed
US-20020107389-A1 Conjugates of chemically defined non-polymeric valency platform molecules and biologically active molecules LA JOLLA PHARMACEUTICAL COMPANY 2002-08-08 US disclosed
US-20020082400-A1 Conjugates of T cell epitope deficient immunogen analogs for humoral anergy and chemically defined non-polymeric valency platform molecules LA JOLLA PHARMACEUTICAL COMPANY 2002-06-27 US disclosed
EP-0722318-A4 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF JOLLA PHARMA (US) 1998-08-05 EP disclosed
US-5633395-A Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 1997-05-27 US disclosed
US-5606047-A INCLUDES POLYNUCLEOTIDE DUPLEXES THAT HAVE SIGNIFICANT BINDING ACTIVITY FOR LUPUS ANTIBODIES LA JOLLA PHARMACEUTICAL COMPANY (US) 1997-02-25 US disclosed
US-5552391-A Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 1996-09-03 US disclosed
EP-0722318-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL (US) 1996-07-24 EP disclosed
WO-1995007073-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 1995-03-16 WO disclosed
EP-0642798-A2 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (CA) 1995-03-15 EP 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-20200157240-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, VIP NOD1 1643/4885HDAC2 4165/4885ASAH1 1265/4885
US-20020082400-A1 Conjugates of T cell epitope deficient immunogen analogs for humoral anergy and chemically defined non-polymeric valency platform molecules SSB, CD4, LY96 NOD1 1680/4885HDAC2 2952/4885ASAH1 3847/4885
US-20030162953-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof SSB, PCNA, NCL NOD1 1621/4885HDAC2 1728/4885ASAH1 2358/4885
US-20020107389-A1 Conjugates of chemically defined non-polymeric valency platform molecules and biologically active molecules SSB, PCNA, NASP NOD1 1354/4885HDAC2 1653/4885ASAH1 2065/4885
US-11692043-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, VIP NOD1 1643/4885HDAC2 4165/4885ASAH1 1265/4885
US-20160310611-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, BCR, LNPEP NOD1 1580/4885HDAC2 4061/4885ASAH1 1281/4885

“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.