Propionic Acid

Propionic Acid

SCHEMBL4552402

CCC(=O)O.c1ccc(-n2ncc3ccccc32)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
NR4A3 Q92570 1/20 0.50
SMO Q99835 2/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PLA2G10 O15496 1/20 0.43
KHK P50053 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ASAH1 Q13510 1/20 0.43
RIPK2 O43353 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
SCHEMBL30270004 0.85 KDM4E (0.56) KMOCYP11B1CYP11B2ALDH1A1MGAM
SCHEMBL729956 0.85 KDM4E (0.56) KMOCYP11B1CYP11B2ALDH1A1MGAM
Hydrochloric Acid SCHEMBL3379409 0.83 KDM4E (0.55) KMOCYP11B1CYP11B2ALDH1A1MGAM
SCHEMBL3668866 0.79 PLA2G10 (0.67) KMOSMOCYP11B1CYP11B2MGAM
SCHEMBL14000500 0.76 PLA2G10 (0.48) KMONR4A3SMOCYP11B1CYP11B2
SCHEMBL29399064 0.75 NR3C1 (0.55) CYP11B1CYP11B2MGAMGAASI
SCHEMBL1880811 0.75 NR3C1 (0.55) CYP11B1CYP11B2MGAMGAASI
SCHEMBL18356093 0.75 ALDH1A1 (0.51) KMOSMOCYP11B1CYP11B2MAPK1
SCHEMBL3666316 0.75 CYP11B1 (0.54) CYP11B1CYP11B2ALDH1A1HPGDMGAM
SCHEMBL13052911 0.74 CYP11B2 (0.55) KMOCYP11B1CYP11B2ALDH1A1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 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 (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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 KMO 2753/4885NR4A3 633/4885SMO 1178/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 KMO 2592/4885NR4A3 655/4885SMO 1129/4885

“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.