SCHEMBL5047387

SCHEMBL5047387

CC(O)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.64
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN5 P54829 1/20 0.46
KMT2A Q03164 1/20 0.45
KIF11 P52732 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
FASN P49327 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7571943 1.00 CYP2C9 (0.64) CYP2C9MAPTSMN1; SMN2PTPN5KMT2A
SCHEMBL7990521 1.00 CYP2C9 (0.64) CYP2C9MAPTSMN1; SMN2PTPN5KMT2A
SCHEMBL197251 0.87 MAPT (0.52) CYP2C9MAPTKMT2ACYP1A2CYP2D6
SCHEMBL153694 0.87 MAPT (0.52) CYP2C9MAPTKMT2ACYP1A2CYP2D6
SCHEMBL4326795 0.87 MAPT (0.52) CYP2C9MAPTKMT2ACYP1A2CYP2D6
SCHEMBL198241 0.87 MAPT (0.52) CYP2C9MAPTKMT2ACYP1A2CYP2D6
SCHEMBL21557850 0.87 MAPT (0.52) CYP2C9MAPTKMT2ACYP1A2CYP2D6
SCHEMBL21229770 0.86 CYP2C9 (0.57) CYP2C9MAPTSMN1; SMN2PTPN5KMT2A
SCHEMBL11846636 0.86 CYP2C9 (0.47) CYP2C9MAPTSMN1; SMN2KIF11NPC1
Water SCHEMBL6414988 0.85 CYP1A2 (0.50) CYP2C9MAPTKMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 CN disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US disclosed
EP-0040932-A1 Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-02 EP disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 CYP2C9 325/4885MAPT 4423/4885SMN1; SMN2 3242/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 CYP2C9 1318/4885MAPT 3329/4885SMN1; SMN2 3939/4885

“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.