SCHEMBL394238

SCHEMBL394238

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CCR5 P51681 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FKBP1A P62942 2/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ENPP2 Q13822 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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 0.98 SIGMAR1 (0.40) TSHRCCR5SIGMAR1ALDH1A1MAPK1
SCHEMBL393504 0.97 SIGMAR1 (0.40) TSHRCCR5SIGMAR1ALDH1A1MAPK1
SCHEMBL390082 0.96 ALDH1A1 (0.40) TSHRSIGMAR1ALDH1A1MAPK1L3MBTL1
SCHEMBL392995 0.86 SIGMAR1 (0.41) TSHRSIGMAR1ALDH1A1MAPK1L3MBTL1
SCHEMBL392735 0.85 SIGMAR1 (0.40) CCR5SIGMAR1ALDH1A1MAPK1L3MBTL1
SCHEMBL393412 0.83 KLK7 (0.44) SIGMAR1ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL393102 0.83 ALDH1A1 (0.59) TSHRALDH1A1MAPK1L3MBTL1HTT
SCHEMBL395208 0.83 ALDH1A1 (0.44) TSHRALDH1A1MAPK1L3MBTL1HTT
SCHEMBL393477 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2
SCHEMBL394986 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1HTTSMN1; SMN2

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 TSHR 2245/4885CCR5 2029/4885SIGMAR1 2080/4885

“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.