SCHEMBL3952244

SCHEMBL3952244

OB(O)c1cccc(CC(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.60
LPL P06858 2/20 0.54
LIPG Q9Y5X9 2/20 0.54
MGLL Q99685 3/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX1 P07099 1/20 0.40
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL14842165 0.87 ENPP2 (0.58) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL16576680 0.81 ENPP2 (0.60) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL1814455 0.79 ENPP2 (0.58) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL2230985 0.78 ENPP2 (0.67) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL14749935 0.78 ENPP2 (0.51) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL3965528 0.78 ENPP2 (0.51) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL5872608 0.77 ENPP2 (0.72) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL8832 0.75 ENPP2 (1.00) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL3647842 0.75 TAAR1 (0.52) ALDH1A1
SCHEMBL3948382 0.75 LPL (0.52) ENPP2LPLLIPGMGLLCA4

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
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
CN-113943238-B Substituted diphenyl sulfide compound and application thereof 沈阳中化农药化工研发有限公司 2022-11-01 CN disclosed
WO-2022214519-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-13 WO disclosed
EP-4038067-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-08-10 EP disclosed
CN-114450288-A 4-quinolinone antibacterial compounds 爱尔兰詹森科学公司 2022-05-06 CN disclosed
WO-2022069421-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-07 WO disclosed
CN-113943238-A Substituted diphenyl sulfide compound and application thereof 沈阳中化农药化工研发有限公司 2022-01-18 CN disclosed
EP-2943481-B1 (HETERO)ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-05-02 EP disclosed
EP-2943481-A1 (HETERO) ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS Gilead Sciences, Inc. (US) 2015-11-18 EP disclosed
US-9050344-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-06-09 US disclosed
US-20140221346-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221347-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
WO-2014110297-A1 (HETERO) ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 WO disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 (4 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-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, SELE, CTCF ENPP2 2533/4885LPL 2596/4885LIPG 1823/4885
US-20140221347-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, FURIN ENPP2 3470/4885LPL 1144/4885LIPG 1078/4885
US-20140221346-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ENPP2 2810/4885LPL 1208/4885LIPG 1111/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 ENPP2 1768/4885LPL 4377/4885LIPG 4784/4885

“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.