SCHEMBL627995

SCHEMBL627995

NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.67
GAA P10253 2/20 0.56
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
DHODH Q02127 1/20 0.46
MAPT P10636 3/20 0.45
P2RX1 P51575 2/20 0.44
RPS6KA3 P51812 1/20 0.44
JAK3 P52333 1/20 0.44
ATF1 P18846 1/20 0.43
NFKB1 P19838 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CES1 P23141 1/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL4372326 0.98 CES2 (0.64) CES2GAARXRARXRBRXRG
Hydrochloric Acid SCHEMBL4027010 0.98 CES2 (0.64) CES2GAARXRARXRBRXRG
Trifluoroacetic Acid SCHEMBL5572977 0.92 CES2 (0.57) CES2GAARXRARXRBRXRG
SCHEMBL17048542 0.92 CES2 (0.57) CES2GAARXRARXRBRXRG
SCHEMBL23224106 0.90 CES2 (0.55) CES2GAARXRARXRBRXRG
SCHEMBL16380759 0.90 CES2 (0.55) CES2GAARXRARXRBRXRG
SCHEMBL4472344 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL2452507 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL30437904 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL628456 0.87 CES2 (0.52) CES2GAARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119499350-A Tumor targeting compound and preparation and application thereof 南京大学 2025-02-25 CN claimed
CN-119264075-A Lysosome oriented nanofiber monomer and preparation and application thereof 南京大学 2025-01-07 CN claimed
CN-118667494-A Preparation method of special composite binder for silicon-carbon negative electrode 深圳光风新能源科技创新中心有限公司 2024-09-20 CN claimed
CN-117551417-A Preparation method of special composite binder for silicon-carbon negative electrode 深圳光风新能源科技创新中心有限公司 2024-02-13 CN claimed
US-11894429-B2 Amorphous metal oxide semiconductor layer and semiconductor device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2024-02-06 US claimed
CN-117511549-A Selective BOE etching solution 多氟多新材料股份有限公司 2024-02-06 CN claimed
US-20220328635-A1 AMORPHOUS METAL OXIDE SEMICONDUCTOR LAYER AND SEMICONDUCTOR DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2022-10-13 US claimed
US-20200350413-A1 AMORPHOUS METAL OXIDE SEMICONDUCTOR LAYER AND SEMICONDUCTOR DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-11-05 US claimed
US-10756190-B2 Precursor composition for forming amorphous metal oxide semiconductor layer, amorphous metal oxide semiconductor layer, method for producing same, and semiconductor device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-08-25 US claimed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP claimed
EP-1377579-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Aventis Pharmaceuticals Inc. (US) 2004-01-07 EP claimed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US claimed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 WO claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 US claimed
CN-1391564-A Chemical compounds GLAXO GROUP LTD (GB) 2003-01-15 CN claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO claimed
WO-1998017636-A1 PHENYLALANINOL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-30 WO claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed

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-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R CES2 4013/4885GAA 3090/4885RXRA 680/4885
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 CES2 1892/4885GAA 784/4885RXRA 966/4885

“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.