SCHEMBL1534080

SCHEMBL1534080

Cc1c(OC(F)(F)F)cc(N)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTPN1 P18031 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
PPARD Q03181 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
MAOB P27338 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
SCHEMBL11920820 0.90 PTPN1 (0.46) RXRARXRBRXRGPTPN1PDK1
SCHEMBL1534047 0.87 PTPN1 (0.44) PTPN1LMNAHPGDKDM4ETSHR
SCHEMBL11922989 0.87 FAAH (0.39)
SCHEMBL1534206 0.84 MEN1 (0.42) RXRARXRBRXRGPTPN1PDK1
SCHEMBL113286 0.84 PTPN1 (0.42) PTPN1MRGPRX4LMNAHPGDKDM4E
SCHEMBL11908949 0.81 PDK1 (0.38) RXRARXRBRXRGPTPN1PDK1
SCHEMBL17692775 0.79 MRGPRX4 (0.40) RXRARXRBRXRGPTPN1PDK1
SCHEMBL20860622 0.79 PTPN1 (0.40) RXRARXRBRXRGPTPN1PDK1
SCHEMBL17692768 0.79 PTPN1 (0.40) RXRARXRBRXRGPTPN1PDK1
Benzoic Acid SCHEMBL27880930 0.78 RXRA (0.53) RXRARXRBRXRGMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622496-B Tetracycline compound 四相制药公司 2019-03-05 CN disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
CN-105622496-A Tetracycline compounds TETRAPHASE PHARMACEUTICALS INC 2016-06-01 CN disclosed
CN-102596898-B tetracycline compound TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-01-27 CN disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
CN-102596898-A Tetracycline compound TETRAPHASE PHARMACEUTICALS INC 2012-07-18 CN disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C RXRA 3508/4885RXRB 3597/4885RXRG 3779/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 RXRA 3736/4885RXRB 3816/4885RXRG 4030/4885

“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.