Propionic Acid

Propionic Acid

SCHEMBL4552403

CCC(=O)O.c1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
TTK P33981 3/20 0.71
ALDH1A1 P00352 2/20 0.71
IDO1 P14902 2/20 0.71
ALPL P05186 1/20 0.71
GAA P10253 1/20 0.71
HPGD P15428 1/20 0.71
MAPK10 P53779 1/20 0.71
MAP2K4 P45985 3/20 0.65
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK1 P28482 1/20 0.60
MAPKAPK3 Q16644 1/20 0.60
MAPK6 Q16659 1/20 0.60
MAPK8 P45983 2/20 0.55
LRRK2 Q5S007 1/20 0.51
AURKA O14965 5/20 0.51
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL30768403 0.84 ALDH1A1 (1.00) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL855531 0.84 ALDH1A1 (1.00) KDM4ETTKALDH1A1IDO1ALPL
Acetic Acid Methyl Ester SCHEMBL15622680 0.83 KDM4E (0.69) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL22819499 0.81 MAP2K4 (0.66) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL17178615 0.81 ALDH1A1 (0.92) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL3732433 0.79 MAP2K4 (1.00) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL27968462 0.78 ALDH1A1 (0.85) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL22926176 0.77 ITK (0.66) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL4488472 0.77 KDM4E (0.74) KDM4ETTKALDH1A1IDO1ALPL
SCHEMBL22801827 0.75 MAP2K4 (1.00) KDM4ETTKALDH1A1IDO1ALPL

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 KDM4E 4459/4885TTK 4160/4885ALDH1A1 1590/4885
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 KDM4E 4441/4885TTK 4236/4885ALDH1A1 1566/4885

“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.