SCHEMBL390294

SCHEMBL390294

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccccc1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.52
SCN2A Q99250 4/20 0.52
SCN3A Q9NY46 4/20 0.52
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL395780 0.89 SCN1A (0.48) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL393416 0.81 ADRB2 (0.44) HTTADRB2POLBTP53MAPT
SCHEMBL392885 0.80 SCN1A (0.49) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL392770 0.79 L3MBTL1 (0.38) L3MBTL1LMNANPC1RAB9ATDP1
SCHEMBL393653 0.79 ADRB2 (0.46) KMT2AALDH1A1L3MBTL1ADRB2KDM4E
SCHEMBL392835 0.78 PAM (0.50) KMT2AALDH1A1MEN1TSHRL3MBTL1
SCHEMBL392988 0.75 KDM4E (0.46) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL390381 0.75 MAPK1 (0.41) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL189776 0.75 ALDH1A1 (0.50) KMT2AALDH1A1MEN1L3MBTL1HTT
SCHEMBL390306 0.73 CA12 (0.36) KMT2AALDH1A1MEN1TSHRL3MBTL1

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 SCN1A 3690/4885SCN2A 2151/4885SCN3A 3261/4885

“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.