SCHEMBL16747516

SCHEMBL16747516

CCCCOc1cn(OCc2ccccc2)c(CNC(=O)CCC(=O)O)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 1/20 0.38
PTPN1 P18031 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9915381 0.87 NPC1 (0.38) L3MBTL1CYP3A4LMNAALDH1A1HTT
SCHEMBL22022461 0.79 EGFR (0.41) LMNAMTNR1A
SCHEMBL9915331 0.78 MEN1 (0.40) LMNAALDH1A1NPSR1TSHRMEN1
SCHEMBL28954527 0.77 EPHX2 (0.52) EPHX2CNR2MTNR1AMEN1KMT2A
SCHEMBL28416107 0.76 EPHX2 (0.54) CYP2C19EPHX2CYP3A4CNR2ALDH1A1
SCHEMBL15279057 0.75 TP53 (0.33) L3MBTL1LMNAALDH1A1HTTNPSR1
SCHEMBL14136527 0.75 PPARD (0.43) CYP2C19LMNATSHR
SCHEMBL9915436 0.74 FAAH (0.36) ALDH1A1TSHR
SCHEMBL16748752 0.73 TP53 (0.34) CYP2C19L3MBTL1CNR2ALDH1A1HTT
SCHEMBL9915493 0.73 SMN1; SMN2 (0.43) CYP2C19LMNAMEN1KMT2A

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-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 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-20150148326-A1 Monobactams MGAM, MGAM2, BPGM CYP2C19 714/4885L3MBTL1 1495/4885EPHX2 2417/4885

“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.