SCHEMBL3308958

SCHEMBL3308958

O=C(O)c1ccc(F)c(F)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
MAP2K1 Q02750 2/20 0.42
MAP2K2 P36507 1/20 0.42
ALB P02768 1/20 0.42
BCHE P06276 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37

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
SCHEMBL30720923 1.00 CES2 (0.52) CES2CES1CYP1A2KDM4EASPH
SCHEMBL30370785 0.86 KDM4E (0.52) CES2CES1CYP1A2KDM4EASPH
SCHEMBL6620264 0.85 CES2 (0.47) CES2CES1CYP1A2KDM4EASPH
Ammonia Solution, Strong SCHEMBL10951716 0.84 CES2 (0.45) CES2CES1CYP1A2KDM4EASPH
SCHEMBL365563 0.83 CES2 (0.47) CES2CES1KDM4EASPHKDM8
SCHEMBL31258574 0.83 CES2 (0.47) CES2CES1KDM4EASPHKDM8
SCHEMBL7740389 0.82 KDM4E (0.48) CES2CES1CYP1A2KDM4EASPH
SCHEMBL1100410 0.82 CYP1A2 (0.44) CES2CES1CYP1A2KDM4EASPH
SCHEMBL241797 0.81 CES2 (0.70) CES2CES1CYP1A2KDM4EASPH
SCHEMBL5468472 0.81 CES2 (0.47) CES2CES1KDM4EASPHKDM8

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-118183709-A Method for preparing fluorocarbon material by utilizing hydrothermal-carbonization method 重庆大学锂电及新材料遂宁研究院 2024-06-14 CN claimed
CN-104530058-A Method for preparing octafluoro-substituted phthalocyanine UNIV TIANJIN 2015-04-22 CN claimed
CN-118183709-A Method for preparing fluorocarbon material by utilizing hydrothermal-carbonization method 重庆大学锂电及新材料遂宁研究院 2024-06-14 CN disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 US disclosed
CN-107880902-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2018-04-06 CN disclosed
CN-104530058-A Method for preparing octafluoro-substituted phthalocyanine UNIV TIANJIN 2015-04-22 CN disclosed
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CES2 2751/4885CES1 4157/4885CYP1A2 3555/4885
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 CES2 2654/4885CES1 2344/4885CYP1A2 2835/4885

“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.