SCHEMBL390082

SCHEMBL390082

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 1/20 0.36
FKBP1A P62942 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
SCHEMBL395704 0.96 SIGMAR1 (0.40) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL394238 0.96 TSHR (0.41) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL393504 0.95 SIGMAR1 (0.40) ALDH1A1L3MBTL1MAPK1TSHRNPC1
SCHEMBL395208 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1GAAHTT
SCHEMBL392995 0.85 SIGMAR1 (0.41) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL393102 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL392735 0.84 SIGMAR1 (0.40) ALDH1A1L3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL393477 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL394986 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL393412 0.83 KLK7 (0.44) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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 1826/4885L3MBTL1 3336/4885MAPK1 1988/4885

“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.