SCHEMBL1913451

SCHEMBL1913451

CCc1ccc(O)c(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
MMP9 P14780 1/20 0.48
DNMT1 P26358 1/20 0.48
DNMT3B Q9UBC3 1/20 0.48
DNMT3L Q9UJW3 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
KAT8 Q9H7Z6 2/20 0.46
CHUK O15111 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BACE1 P56817 1/20 0.44
LCK P06239 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL14072398 0.85 TRPA1 (0.55) TRPA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL30023406 0.84 KLKB1 (0.68) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL10818516 0.84 IKBKB (0.45) TRPA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL418713 0.82 KLKB1 (0.71) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL925372 0.82 TRPA1 (0.57) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL27858512 0.82 KLKB1 (0.50) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL27938470 0.82 KAT8 (0.65) KAT8ALDH1A1HPGDHSD17B10BACE1
SCHEMBL4911722 0.81 KAT8 (0.72) KAT8ALDH1A1KDM4EHSD17B10LCK
SCHEMBL27887200 0.81 KAT8 (0.63) KAT8ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4097033 0.81 ALDH1A1 (0.54) TRPA1ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000726-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES VANDERBILT UNIVERSITY 2024-01-04 US disclosed
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
US-11400103-B2 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2022-08-02 US disclosed
US-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES VANDERBILT UNIVERSITY 2020-12-10 US disclosed
US-20200246358-A1 METHODS OF PREVENTING PLATELET ACTIVATION VANDERBILT UNIVERSITY 2020-08-06 US disclosed
US-10688109-B1 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2020-06-23 US disclosed
US-10166248-B1 Methods of preventing platelet activation VANDERBILT UNIVERSITY (US) 2019-01-01 US disclosed
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-09-24 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 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 (18 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TRPA1 1954/4885KLKB1 598/4885CTSB 49/4885
US-20240000726-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES OGG1, LGMN, GLO1 TRPA1 1725/4885KLKB1 836/4885CTSB 210/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 TRPA1 2883/4885KLKB1 425/4885CTSB 34/4885
US-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES OGG1, LGMN, GLO1 TRPA1 1725/4885KLKB1 836/4885CTSB 210/4885
US-10166248-B1 Methods of preventing platelet activation PFKP, PLG, PRKG1 TRPA1 3147/4885KLKB1 25/4885CTSB 1049/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885KLKB1 1267/4885CTSB 37/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TRPA1 3839/4885KLKB1 1267/4885CTSB 37/4885
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 TRPA1 449/4885KLKB1 1654/4885CTSB 1591/4885
US-10688109-B1 Methods of preventing platelet activation PFKP, PLG, PRKG1 TRPA1 3147/4885KLKB1 25/4885CTSB 1049/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885KLKB1 1267/4885CTSB 37/4885
US-20200246358-A1 METHODS OF PREVENTING PLATELET ACTIVATION PLG, PLA2G7, PLAT TRPA1 2568/4885KLKB1 899/4885CTSB 706/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 TRPA1 3960/4885KLKB1 1312/4885CTSB 59/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TRPA1 1512/4885KLKB1 883/4885CTSB 53/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TRPA1 3839/4885KLKB1 1267/4885CTSB 37/4885
US-11400103-B2 Methods of preventing platelet activation PLG, PLA2G7, PLAT TRPA1 2568/4885KLKB1 899/4885CTSB 706/4885
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA H1-2, H1-4, H1-3 TRPA1 1983/4885KLKB1 990/4885CTSB 2909/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 TRPA1 1725/4885KLKB1 836/4885CTSB 210/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TRPA1 4021/4885KLKB1 1195/4885CTSB 35/4885

“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.