SCHEMBL140639

SCHEMBL140639

CCc1c(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](NC(=O)OCc4ccccc4)C[C@H]3CO)c(C=O)c2n1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.34
DPP7 Q9UHL4 5/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
KCNH2 Q12809 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
TLR4 O00206 1/20 0.32
GSK3B P49841 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL142919 0.92 DPP4 (0.34) DPP4DPP7CTSLCTSBCTSK
SCHEMBL140638 0.82 ADRB2 (0.43) KCNH2ALDH1A1GSK3BKDM4ELMNA
SCHEMBL142918 0.75 ADRB2 (0.43) KCNH2ALDH1A1GSK3BKDM4ELMNA
SCHEMBL13625737 0.74 ADRB2 (0.44) KCNH2ALDH1A1GSK3BKDM4ELMNA
SCHEMBL1516361 0.74 PIM1 (0.34) KCNH2ALDH1A1GSK3BKDM4EPOLB
SCHEMBL143608 0.73 KCNH2 (0.33) KCNH2ALDH1A1TSHRGSK3BKDM4E
SCHEMBL143976 0.72 GSK3B (0.36) KCNH2ALDH1A1GSK3BKDM4ELMNA
SCHEMBL12836900 0.69 KDM4E (0.43) KCNH2ALDH1A1GSK3BKDM4ELMNA
SCHEMBL144894 0.68 JAK2 (0.30) KMT2AJAK2JAK1
SCHEMBL143351 0.65 KCNH2 (0.33) KCNH2ALDH1A1TSHRGSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 DPP4 399/4885DPP7 337/4885CTSL 1109/4885

“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.