SCHEMBL667734

SCHEMBL667734

CCc1ccccc1NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HTT P42858 3/20 0.55
GAA P10253 3/20 0.47
CLCN2 P51788 1/20 0.47
POLB P06746 2/20 0.46
PTGS2 P35354 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL26927426 0.87 ALDH1A1 (0.44) ALDH1A1HTTGAACLCN2POLB
SCHEMBL11562589 0.85 ALDH1A1 (0.55) ALDH1A1HTTGAACLCN2POLB
SCHEMBL15015520 0.85 HPGD (0.53) ALDH1A1HTTGAAPTGS2LMNA
SCHEMBL15015538 0.85 CXCL8 (0.57) CLCN2PTGS2MAPTKDM4E
SCHEMBL3342778 0.84 SCD (0.46) ALDH1A1HTTPOLB
Hydrochloric Acid SCHEMBL7406915 0.84 ALDH1A1 (0.58) ALDH1A1HTTGAACLCN2POLB
Hydrochloric Acid SCHEMBL9554099 0.84 ALDH1A1 (0.60) ALDH1A1HTTGAACLCN2POLB
SCHEMBL5692314 0.83 PARP1 (0.51) ALDH1A1GAAPTGS2MAPTMEN1
SCHEMBL7365033 0.83 CYSLTR2 (0.48)
SCHEMBL27551104 0.83 PARP1 (0.43) ALDH1A1HTTPTGS2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
CN-1095069-A Novel process for the preparation and/or purification of clavulanic acid or pharmaceutically acceptable salts or esters thereof SMITHKLINE BEECHAM PLC (GB) 1994-11-16 CN claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN claimed
CN-116888138-A Radiopharmaceutical conjugate compositions and uses thereof 瑞择生物公司 2023-10-13 CN disclosed
CN-111148740-A Compounds useful as autophagy modulators and methods of making and using the same 微境生物医药科技(上海)有限公司 2020-05-12 CN disclosed
US-9073977-B2 Biomimetic peptoid polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 US disclosed
US-20120046443-A1 Novel biomimetic peptoid polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-23 US disclosed
CN-102134213-A 5-(alpha-methoxylbenzyl)pyrrole compound as well as preparation method and application thereof UNIV NANKAI 2011-07-27 CN disclosed
WO-2010017412-A1 NOVEL BIOMIMETIC PEPTOID POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-11 WO disclosed
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
CN-1095069-A Novel process for the preparation and/or purification of clavulanic acid or pharmaceutically acceptable salts or esters thereof SMITHKLINE BEECHAM PLC (GB) 1994-11-16 CN disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
CN-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN 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-20120046443-A1 Novel biomimetic peptoid polymers NOD2, APP, SPPL2B ALDH1A1 4856/4885HTT 2445/4885GAA 4275/4885
US-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 ALDH1A1 2861/4885HTT 641/4885GAA 997/4885

“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.