Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL141192

CN(C)CCC(Oc1ccccc1Br)c1ccccc1.O=C(O)CCc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.45
FFAR1 O14842 1/20 0.44
CHRM1 P11229 1/20 0.44
UTS2R Q9UKP6 4/20 0.43
KEAP1 Q14145 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
UBE2N P61088 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
Oxalic Acid SCHEMBL7310142 0.87 SLC6A9 (0.51) SLC6A9SLC6A4HRH3
Phenyl Propionic Acid SCHEMBL11232741 0.85 KEAP1 (0.45) FFAR1KEAP1SLC6A4
SCHEMBL21051927 0.80 SLC6A9 (0.51) SLC6A9
Phenylacetic Acid SCHEMBL145669 0.76 KDM4E (0.55) SLC6A9UTS2RSLC6A4HRH3
SCHEMBL21658557 0.74 SLC6A9 (0.53) SLC6A9UTS2RSLC6A4HRH3
SCHEMBL21102738 0.74 SLC6A9 (0.46) SLC6A9SLC6A4HRH3
SCHEMBL21102739 0.74 SLC6A9 (0.46) SLC6A9SLC6A4HRH3
SCHEMBL21102741 0.74 SLC6A9 (0.46) SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL7317340 0.73 KDM4E (0.69) SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL5033726 0.73 CYP1A2 (0.57) SLC6A9CHRM1UTS2RSLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 US disclosed
US-20080280862-A1 Methods, compositions, and kits for the treatment of pain COMBINATORX, INCORPORATED 2008-11-13 US disclosed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-18 US disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-04 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 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 (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-20080280862-A1 Methods, compositions, and kits for the treatment of pain ACHE, MPO, P2RX3 SLC6A9 3392/4885FFAR1 3552/4885CHRM1 3531/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A9 4106/4885FFAR1 1849/4885CHRM1 3915/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A9 4472/4885FFAR1 1322/4885CHRM1 2877/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A9 4467/4885FFAR1 2283/4885CHRM1 3183/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A9 4472/4885FFAR1 1322/4885CHRM1 2877/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A9 4747/4885FFAR1 4746/4885CHRM1 3503/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A9 4836/4885FFAR1 3753/4885CHRM1 4670/4885

“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.