SCHEMBL394005

SCHEMBL394005

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
ADRB2 P07550 5/20 0.40
ADRB1 P08588 5/20 0.40
ADRB3 P13945 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL395269 0.89 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL392543 0.87 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL393416 0.86 ADRB2 (0.44) ADRB2ADRB1ADRB3POLB
SCHEMBL393274 0.86 SCN1A (0.44) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL394313 0.85 ADRB2 (0.42) ALDH1A1TDP1ADRB2ADRB1ADRB3
SCHEMBL395780 0.85 SCN1A (0.48) ALDH1A1TDP1ADRB2L3MBTL1TSHR
SCHEMBL393493 0.85 MAPT (0.45) ALDH1A1TDP1L3MBTL1MAPK1RAB9A
SCHEMBL393102 0.83 ALDH1A1 (0.59) ALDH1A1TDP1ADRB2ADRB1ADRB3
SCHEMBL395208 0.83 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL393477 0.82 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 (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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ALDH1A1 1826/4885TDP1 4661/4885NPC1 3841/4885

“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.