SCHEMBL3609083

SCHEMBL3609083

CC(=O)OCC(C)NC=C(C(=O)O)C(=O)c1cc(F)c(N2CCN(C)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ADRA2B P18089 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3609081 1.00 KDM4E (0.39) KDM4EKMT2AMEN1ADRA2BMAPK1
SCHEMBL3611465 0.88 KDM4E (0.42) KDM4EKMT2AMEN1ADRA2BMAPK1
SCHEMBL13502976 0.81 MEN1 (0.39) KDM4EKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6217328 0.77 ACACB (0.31) ALDH1A1
SCHEMBL9565709 0.74 KDM4E (0.44) KDM4EKMT2AMEN1ADRA2BMAPK1
SCHEMBL25379757 0.69 CES2 (0.31)
SCHEMBL9746643 0.69 CES2 (0.31)
SCHEMBL9748463 0.69 CES2 (0.31)
SCHEMBL10862560 0.69 NPSR1 (0.45) KDM4EKMT2AMEN1MAPK1ALDH1A1
SCHEMBL8136234 0.69 KDM4E (0.52) KDM4EKMT2AMEN1ADRA2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029938-A1 PROCESS FOR THE PREPARATION OF AN ANTIBACTERIAL QUINOLONE COMPOUND FARMAPROJECTS, S. A. (ES) 2010-02-04 US disclosed
WO-2008077643-A1 PROCESS FOR THE PREPARATION OF AN ANTIBACTERIAL QUINOLONE COMPOUND FARMAPROJECTS, S.A. (ES) 2008-07-03 WO disclosed
EP-1939206-A1 Process for the preparation of an antibacterial quinolone compound Farmaprojects, S.A. (ES) 2008-07-02 EP 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-20100029938-A1 PROCESS FOR THE PREPARATION OF AN ANTIBACTERIAL QUINOLONE COMPOUND CYP3A4, CYP4B1, CYP4F11 KDM4E 998/4885KMT2A 3906/4885MEN1 3155/4885

“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.