SCHEMBL10107647

SCHEMBL10107647

CCCCOc1c(N(CC(C)(C)CN(C)C)C(=O)OCc2ccccc2)nc(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.31
MMP13 P45452 1/20 0.31
KCNA5 P22460 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10102101 0.93 ITGB3 (0.33) ITGB3ITGA2BALDH1A1TSHRMAPT
SCHEMBL14679438 0.78 MCHR1 (0.37) ITGB3ITGA2BALDH1A1CYP3A4TSHR
SCHEMBL16015534 0.78 LMNA (0.36) CYP3A4TSHRMAPTLMNAKMT2A
SCHEMBL10102104 0.74 ITGB3 (0.36) ITGB3ITGA2BALDH1A1CYP3A4TSHR
SCHEMBL10107717 0.72 LMNA (0.42) L3MBTL1CYP3A4TSHRMAPK1MAPT
SCHEMBL10107544 0.71 F2 (0.34) CYP3A4TSHRMAPTMMP13LMNA
SCHEMBL16015533 0.69 LMNA (0.36) ALDH1A1CYP3A4TSHRMAPTLMNA
SCHEMBL10107750 0.69 FAAH (0.40) TSHRMAPTLMNA
SCHEMBL10102173 0.69 MAPT (0.43) L3MBTL1MAPTLMNAMEN1HSP90AA1
SCHEMBL10107487 0.69 MAPT (0.39) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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 (1 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 ITGB3 4561/4885ITGA2B 3823/4885L3MBTL1 4756/4885

“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.