SCHEMBL393791

SCHEMBL393791

O=C(Cl)OCOC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 3/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
JAK2 O60674 1/20 0.43
S1PR2 O95136 1/20 0.43
XBP1 P17861 1/20 0.43
CES2 O00748 1/20 0.43

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
SCHEMBL8448417 0.90 ESR1 (0.45) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL7715544 0.83 GAA (0.50) MAPTKMT2AMEN1LMNANPC1
SCHEMBL21953575 0.82 KMT2A (0.51) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL394866 0.81 TDP1 (0.52) MAPTKMT2ATRPV1LMNAADRB2
SCHEMBL5210552 0.81 TDP1 (0.57) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL395527 0.79 CA1 (0.56) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL395809 0.79 KDM4E (0.58) MAPTKMT2ALMNANPC1RAB9A
SCHEMBL557321 0.79 MAPT (0.51) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL394881 0.77 CA1 (0.46) MAPTKMT2AMEN1LMNANPC1
SCHEMBL23817384 0.76 KMT2A (0.58) MAPTKMT2AMEN1CASP3TRPV1

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-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 MAPT 4452/4885KMT2A 2161/4885MEN1 1471/4885

“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.