SCHEMBL228994

SCHEMBL228994

Cc1cccc(CC(=O)O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
GLA P06280 1/20 0.56
STING1 Q86WV6 1/20 0.56
AKR1B1 P15121 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PTGS1 P23219 1/20 0.46
CTBP2 P56545 1/20 0.44

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
SCHEMBL29363967 1.00 PTGS2 (0.57) PTGS2GLASTING1AKR1B1TDP1
Hydrochloric Acid SCHEMBL49165 0.98 PTGS2 (0.56) PTGS2GLASTING1AKR1B1TDP1
Hydrochloric Acid SCHEMBL8900388 0.96 PTGS2 (0.54) PTGS2GLASTING1AKR1B1TDP1
Acetic Acid SCHEMBL27649054 0.96 PTGS2 (0.54) PTGS2GLASTING1AKR1B1TDP1
Formic Acid SCHEMBL28053598 0.91 PTGS2 (0.50) PTGS2GLASTING1AKR1B1TDP1
SCHEMBL19475173 0.85 PTGS2 (0.55) PTGS2GLASTING1AKR1B1TDP1
SCHEMBL1258807 0.83 ESR1 (0.43) PTGS2GLASTING1TDP1SMN1; SMN2
SCHEMBL7188564 0.83 L3MBTL1 (0.43) PTGS2GLASTING1SMN1; SMN2KDM4E
SCHEMBL29631318 0.83 AKR1B1 (0.61) PTGS2AKR1B1TDP1MAPTMEN1
SCHEMBL2528595 0.83 AKR1B1 (0.61) PTGS2AKR1B1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591291-A Bilastine intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2022-06-07 CN claimed
CN-113384702-A Application of H1 histamine receptor antagonist in preparation of medicine for treating glioma 温州医科大学附属第一医院 2021-09-14 CN claimed
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 CN claimed
EP-1958935-A2 Process for the production of piperidine derivatives with microorganisms AMR Technology, Inc. (US) 2008-08-20 EP claimed
US-20060173042-A1 Process for the preparation of fexofenadine RANBAXY LABORATORIES LIMITED (IN) 2006-08-03 US claimed
EP-1071463-B1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC (US) 2006-06-07 EP claimed
EP-1575893-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE Ranbaxy Laboratories Limited (IN) 2005-09-21 EP claimed
EP-1339864-A4 PROCESS FOR THE PRODUCTION OF PIPERIDINE DERIVATIVES WITH MICROORGANISMS AMR TECHNOLOGY INC (US) 2005-01-12 EP claimed
WO-2004054955-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE RANBAXY LABORATORIES LIMITED (US) 2004-07-01 WO claimed
EP-1339864-A2 PROCESS FOR THE PRODUCTION OF PIPERIDINE DERIVATIVES WITH MICROORGANISMS Albany Molecular Research, Inc. (US) 2003-09-03 EP claimed
WO-2002083062-A2 PROCESS FOR THE PRODUCTION OF PIPERIDINE DERIVATIVES WITH MICROORGANISMS ALBANY MOLECULAR RESEARCH, INC. (US) 2002-10-24 WO claimed
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2002-06-20 US claimed
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed
US-4393233-A FROM ISOBUTYRIC ACID, BROMINE, AND BENZENE ALLIED CORPORATION (US) 1983-07-12 US claimed
US-4310655-A Polymers of p-(1,1-dimethyl-2-hydroxyethyl)benzoic acid and preparation thereof ALLIED CORPORATION (US) 1982-01-12 US claimed
JP-59073505-A None JP disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed
US-4204029-A AUTOMOBILE WINDSHIELDS GULF OIL CORPORATION (US) 1980-05-20 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-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS2 301/4885GLA 4650/4885STING1 1344/4885
US-20060173042-A1 Process for the preparation of fexofenadine CMA1, HRH2, MAOA PTGS2 469/4885GLA 2774/4885STING1 4664/4885

“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.