SCHEMBL13726253

SCHEMBL13726253

CC1=CC(=O)N(C(=O)O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.32
JUN P05412 7/20 0.32
NFKB1 P19838 7/20 0.32
NFKB2 Q00653 7/20 0.32
RELA Q04206 7/20 0.32
FOS P01100 3/20 0.31

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
SCHEMBL8891742 0.68 CA12 (0.50)
SCHEMBL25255933 0.67 ALDH1A1 (0.44)
SCHEMBL10007017 0.66 XPO1 (0.38) XPO1JUNNFKB1NFKB2RELA
SCHEMBL12583854 0.64 CA12 (0.41) JUNNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL5808464 0.64 NPC1 (0.48) XPO1JUNNFKB1NFKB2RELA
SCHEMBL19157252 0.64
SCHEMBL18897410 0.64
SCHEMBL4256829 0.63 KDM4E (0.46)
SCHEMBL4395914 0.62 MGLL (0.33) XPO1
SCHEMBL23811165 0.61 GSK3A (0.37) JUNNFKB1NFKB2RELAFOS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
EP-3313522-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
EP-3313524-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-CD123-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
EP-3310440-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2018-04-25 EP disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
EP-3233127-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
WO-2015096982-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-02 WO disclosed
EP-2790731-A2 FGFR-BINDER-ACTIVE AGENT CONJUGATES Seattle Genetics, Inc. (US) 2014-10-22 EP disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
EP-2699268-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE Seattle Genetics, Inc. (US) 2014-02-26 EP disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143499-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143497-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO 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-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR XPO1 3153/4885JUN 3795/4885NFKB1 3463/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB XPO1 1356/4885JUN 3655/4885NFKB1 2551/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 XPO1 1118/4885JUN 2829/4885NFKB1 968/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR XPO1 3153/4885JUN 3795/4885NFKB1 3463/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 XPO1 1118/4885JUN 2829/4885NFKB1 968/4885

“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.