SCHEMBL11908652

SCHEMBL11908652

Cc1c(C#N)ccc(OC(=O)OC(C)(C)C)c1C(=O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
MAPT P10636 5/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PLA2G7 Q13093 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM6 O15303 1/20 0.34
PTK2B Q14289 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
HPGD P15428 1/20 0.32
CRHR1 P34998 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
SCHEMBL1534096 0.83 ELANE (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL20370133 0.82 GRM6 (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL13397730 0.82 ELANE (0.40) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL11907366 0.80 ALPL (0.39) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL1687962 0.80 ELANE (0.39) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL1534069 0.80 ELANE (0.39) ELANEMAPTRAB9ANPSR1MAOB
SCHEMBL9286091 0.74 MAPT (0.43) ELANEMAPTRAB9ANPSR1TDP1
SCHEMBL21884506 0.74 XDH (0.47) MAPTMAOBL3MBTL1TDP1CYP2C9
SCHEMBL13121595 0.73 ELANE (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1
SCHEMBL979301 0.73 ELANE (0.41) ELANEMAPTRAB9ANPSR1L3MBTL1

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 5 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-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US 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 2654/4885MAPT 93/4885RAB9A 1832/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 ELANE 2685/4885MAPT 116/4885RAB9A 1875/4885

“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.