SCHEMBL1534069

SCHEMBL1534069

Cc1c(C(F)(F)F)ccc(OC(=O)OC(C)(C)C)c1C(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
MAOB P27338 2/20 0.37
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
MAPT P10636 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GRM6 O15303 1/20 0.34
RXRA P19793 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR1 O14842 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11907366 0.86 ALPL (0.39) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL13397730 0.85 ELANE (0.40) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL1534096 0.84 ELANE (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL1534095 0.84 MAOB (0.41) MAOBMAPTTAS2R14RAB9ANPSR1
SCHEMBL20370133 0.83 GRM6 (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL1687962 0.81 ELANE (0.39) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL11908652 0.80 ELANE (0.38) ELANEMAOBMAPTRAB9ANPSR1
SCHEMBL19634982 0.79 MAOB (0.43) MAOBMAPTTAS2R14RAB9ANPSR1
SCHEMBL1534042 0.79 RXRA (0.46) MAPTL3MBTL1TDP1RXRACYP2C9
SCHEMBL1534079 0.78 HSD17B10 (0.44) MAOBMAPTTAS2R14RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP 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
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US 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
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US 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 ELANE 2654/4885MAOB 1699/4885NR1H2 3345/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 ELANE 2685/4885MAOB 2000/4885NR1H2 3397/4885

“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.