SCHEMBL1107145

SCHEMBL1107145

Cc1ccc(NC(=O)CCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
GLA P06280 1/20 0.74
POLB P06746 4/20 0.73
CYP1A1 P04798 1/20 0.70
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
BCHE P06276 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NCOR2 Q9Y618 1/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.60

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
SCHEMBL3240726 0.95 MAPT (0.68) MAPTGLAPOLBCYP1A1HDAC3
SCHEMBL14578751 0.92 POLB (0.85) MAPTGLAPOLBHDAC3HDAC1
SCHEMBL8737500 0.92 POLB (0.84) MAPTGLAPOLBCYP1A1HDAC3
SCHEMBL27874786 0.90 KMT2A (0.77) MAPTGLAPOLBCYP1A1HDAC3
SCHEMBL7825018 0.89 POLB (0.70) MAPTGLAPOLBCYP1A1HDAC3
SCHEMBL1064449 0.87 HDAC1 (0.76) MAPTGLAPOLBHDAC3HDAC1
SCHEMBL6173694 0.85 CYP1A1 (0.70) MAPTGLAPOLBCYP1A1BCHE
SCHEMBL10087214 0.85 POLB (0.73) MAPTGLAPOLBHDAC3HDAC1
SCHEMBL3229329 0.84 NPC1 (0.64) MAPTGLAPOLBCYP1A1HDAC3
SCHEMBL8141141 0.84 POLB (0.80) MAPTGLAPOLBHDAC3HDAC1

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
EP-3777898-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2021-02-17 EP disclosed
US-20190275181-A1 Compounds for Positron Emission Tomography ENDOCYTE INC (US) 2019-09-12 US disclosed
EP-3533473-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2019-09-04 EP disclosed
WO-2017051355-A1 COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-30 WO disclosed
WO-2017017607-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-02-02 WO disclosed
US-20160287731-A1 Compounds for Positron Emission Tomography ENDOCYTE, INC 2016-10-06 US disclosed
WO-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 WO disclosed
US-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-05-08 US disclosed
US-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2014-05-08 US disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-8153660-B2 Piperidyl-propane-thiol CCR3 modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-10 US disclosed
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
US-20100317634-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 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-20190275181-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 MAPT 883/4885GLA 527/4885POLB 388/4885
US-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C MAPT 1166/4885GLA 3166/4885POLB 610/4885
US-20100317634-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS CCR3, CCR1, CCRL2 MAPT 3205/4885GLA 4881/4885POLB 4415/4885
US-20140128352-A1 COMPOUNDS AND METHODS FOR MODULATING MITOCHONDRIAL METABOLISM AND REACTIVE OXYGEN SPECIES PRODUCTION PC, PCK2, TXNRD2 MAPT 2501/4885GLA 1238/4885POLB 761/4885
US-20160287731-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 MAPT 883/4885GLA 527/4885POLB 388/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P MAPT 1744/4885GLA 4074/4885POLB 3667/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MAPT 2603/4885GLA 1144/4885POLB 3293/4885

“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.