SCHEMBL2294263

SCHEMBL2294263

CC(C#N)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ACACB O00763 1/20 0.50
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49
FOLH1 Q04609 4/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KMT2A Q03164 3/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42

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
Diethylamine SCHEMBL2917696 0.91 ACACB (0.47) ALDH1A1ACACBANPEPENPEPFOLH1
Butylamine SCHEMBL2917924 0.87 RARB (0.46) ALDH1A1ACACBANPEPENPEPFOLH1
SCHEMBL8763089 0.82 ESR2 (0.42) ALDH1A1KMT2ATSHRMEN1
SCHEMBL13643238 0.81 GSK3B (0.53) ACACB
SCHEMBL28192730 0.80 NPC1 (0.43) ACACBKMT2ATP53MEN1MAPT
SCHEMBL2851334 0.80 FOLH1 (0.54) ANPEPENPEPFOLH1
SCHEMBL7033615 0.79 PTGS2 (0.67) ADRB3TSHR
SCHEMBL452233 0.79 PTGS1 (0.60) ALDH1A1ACACBANPEPENPEPFOLH1
SCHEMBL27959311 0.79 PTGS1 (0.60) ALDH1A1ACACBANPEPENPEPFOLH1
SCHEMBL6479259 0.79 ANPEP (0.49) ALDH1A1ACACBANPEPENPEPFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6558744-B2 Enhanced resolution matrix-laser desorption and ionization TOF-MS sample surface WATERS INVESTMENTS LIMITED 2003-05-06 US claimed
US-20020068133-A1 Enhanced resolution matrix-laser desorption and ionization Tof-ms sample surface WATERS TECHNOLOGIES CORPORATION 2002-06-06 US claimed
US-6071610-A Enhanced resolution matrix-laser desorption and ionization TOF-MS sample surface WATERS INVESTMENTS LIMITED 2000-06-06 US claimed
US-20200209260-A1 Early Diagnosis and Prognosis of Pre-Eclampsia Universite De Paris (FR) 2020-07-02 US disclosed
US-9617525-B2 Phosphotriesterase enzymes, methods and compositions related thereto NEW YORK UNIVERSITY (US) 2017-04-11 US disclosed
US-20160083702-A1 NOVEL PHOSPHOTRIESTERASE ENZYMES, METHODS AND COMPOSITIONS RELATED THERETO NEW YORK UNIVERSITY 2016-03-24 US disclosed
EP-2785707-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS Bayer Intellectual Property GmbH (DE) 2014-10-08 EP disclosed
WO-2013079425-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-06 WO disclosed
US-20110207917-A1 SAM-6 VARIANTS, TARGET AND METHODS OF USE PATRYS LIMITED (AU) 2011-08-25 US disclosed
US-7635685-B2 Bifunctional antibiotics for targeting rRNA and resistance-causing enzymes and for inhibition of anthrax lethal factor TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-12-22 US disclosed
EP-1789429-B1 BIFUNCTIONAL ANTIBIOTICS FOR TARGETING RRNA AND RESISTANCE CAUSING ENZYMES AND FOR INHIBITION OF ANTHRAX LETHAL FACTOR TECHNION RES & DEV FOUNDATION (IL) 2009-08-26 EP disclosed
US-7259019-B2 Multiple sampling device and method for investigating biological systems PAWLISZYN JANUSZ B 2007-08-21 US disclosed
EP-1789429-A2 BIFUNCTIONAL ANTIBIOTICS FOR TARGETING RRNA AND RESISTANCE CAUSING ENZYMES AND FOR INHIBITION OF ANTHRAX LETHAL FACTOR TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2007-05-30 EP disclosed
WO-2006027784-A2 BIFUNCTIONAL ANTIBIOTICS FOR TARGETING RRNA AND RESISTANCE CAUSING ENZYMES AND FOR INHIBITION OF ANTHRAX LETHAL FACTOR TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2006-03-16 WO disclosed
US-20050276727-A1 Multiple sampling device and method for investigating biological systems PAWLISZYN JANUSZ B 2005-12-15 US disclosed
US-20050148522-A1 Bifunctional antibiotics for targeting rRNA and resistance-causing enzymes and for inhibition of anthrax lethal factor TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. 2005-07-07 US disclosed
US-20040242854-A1 Chemical capture reagent GE HEALTHCARE UK LIMITED (GB) 2004-12-02 US disclosed
EP-1402268-A2 CHEMICAL CAPTURE REAGENT Amersham Biosciences UK Limited (GB) 2004-03-31 EP disclosed
WO-2003005026-A2 CHEMICAL CAPTURE REAGENT AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-01-16 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 (2 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-20050148522-A1 Bifunctional antibiotics for targeting rRNA and resistance-causing enzymes and for inhibition of anthrax lethal factor ANTXR2, RNASEH1, RNASEL ALDH1A1 3836/4885ACACB 1468/4885ANPEP 191/4885
US-20040242854-A1 Chemical capture reagent SPPL2B, PRXL2A, PLG ALDH1A1 2055/4885ACACB 4317/4885ANPEP 25/4885

“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.