SCHEMBL6696501

SCHEMBL6696501

C/C(=N\OCc1ccccc1NC(=O)O)C(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PPARG P37231 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
SCHEMBL6696504 1.00 PTGS2 (0.47) PTGS2HTTKDM4ELMNACYP2C19
SCHEMBL6693044 0.87 PTGS2 (0.44) PTGS2HTTKDM4ELMNACYP2C19
SCHEMBL6696646 0.87 PTGS2 (0.44) PTGS2HTTKDM4ELMNACYP2C19
SCHEMBL6696644 0.87 PTGS2 (0.44) PTGS2HTTKDM4ELMNACYP2C19
SCHEMBL6693047 0.87 PTGS2 (0.44) PTGS2HTTKDM4ELMNACYP2C19
SCHEMBL6695277 0.84 PTGS2 (0.40) PTGS2HTTKDM4ELMNASMN1; SMN2
SCHEMBL6693803 0.80 PTGS2 (0.53) PTGS2HTTMEN1KMT2AALDH1A1
SCHEMBL6693807 0.80 PTGS2 (0.53) PTGS2HTTMEN1KMT2AALDH1A1
SCHEMBL6695273 0.78 PTGS2 (0.37) PTGS2LMNASMN1; SMN2PKMKMT2A
SCHEMBL6694105 0.76 PTGS2 (0.36) PTGS2KDM4ELMNACYP2C19CYP1A2

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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect BAYER AKTIENGESELLSCHAFT (DE) 2004-02-05 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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect CBR3, CBR1, CYP1B1 PTGS2 4199/4885HTT 3334/4885KDM4E 1833/4885

“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.