Phenylacetic Acid

Phenylacetic Acid

SCHEMBL5852247

Cc1ccccc1NC(N)=O.O=C(O)Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.69
POLB P06746 3/20 0.57
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
AKR1B1 P15121 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGAV P06756 2/20 0.54
ITGB1 P05556 1/20 0.54
ITGA5 P08648 1/20 0.54
FFAR1 O14842 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL29521664 0.84 POLB (0.75) HPGDPOLBRAB9ANPC1ALDH1A1
SCHEMBL81434 0.84 POLB (0.75) HPGDPOLBRAB9ANPC1ALDH1A1
Phosphine SCHEMBL30387635 0.82 POLB (0.72) HPGDPOLBRAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL27918048 0.82 POLB (0.72) HPGDPOLBRAB9ANPC1ALDH1A1
SCHEMBL7516248 0.81 HPGD (1.00) HPGDPOLBRAB9ANPC1ALDH1A1
Phenylacetic Acid SCHEMBL28136536 0.80 AKR1B1 (0.77) HPGDAKR1B1FFAR1ALDH1A1HSD17B10
SCHEMBL3485567 0.80 ITGB1 (0.67) HPGDPOLBRAB9ANPC1ITGB3
SCHEMBL29612679 0.80 ITGB1 (0.67) HPGDPOLBRAB9ANPC1ITGB3
SCHEMBL9849440 0.80 HPGD (0.73) HPGDPOLBRAB9ANPC1ITGB3
Phenylurea SCHEMBL5852221 0.80 AKR1B1 (0.63) AKR1B1FFAR1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
EP-1082302-B1 A VLA-4 INHIBITOR: OMEPUPA-V BIOGEN INC (US) 2003-12-17 EP disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
US-6495525-B1 N-((4-(((2-METHYLPHENYLAMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L -PROLYL-3-METHYL)-BETA-ALANINE; VERY LATE ANTIGEN-4 CELL ADHESION INHIBITOR; INFLAMMATION AND IMMUNE REACTIONS BIOGEN, INC. 2002-12-17 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-1082302-A1 A VLA-4 INHIBITOR: OMEPUPA-V BIOGEN, INC. (US) 2001-03-14 EP disclosed
WO-1999061421-A1 A NOVEL VLA-4 INHIBITOR: oMePUPA-V BIOGEN, INC. (US) 1999-12-02 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO 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 (3 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HPGD 1598/4885POLB 4750/4885RAB9A 1779/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HPGD 1598/4885POLB 4750/4885RAB9A 1779/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HPGD 1598/4885POLB 4750/4885RAB9A 1779/4885

“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.