SCHEMBL1390253

SCHEMBL1390253

Cc1cc(F)ccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.41
KMT2A Q03164 1/20 0.35
SLC6A9 P48067 4/20 0.35
EGLN1 Q9GZT9 3/20 0.34
BRD4 O60885 1/20 0.33
SLC6A5 Q9Y345 2/20 0.33
GCG P01275 1/20 0.33
MMP1 P03956 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F9 P00740 1/20 0.33
VEGFA P15692 1/20 0.33
FLT1 P17948 1/20 0.33
TYMS P04818 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
SCHEMBL1390250 1.00 GPBAR1 (0.41) GPBAR1KMT2ASLC6A9EGLN1BRD4
SCHEMBL1390044 0.93 GPBAR1 (0.39) GPBAR1KMT2ASLC6A9BRD4SLC6A5
SCHEMBL1390040 0.93 GPBAR1 (0.39) GPBAR1KMT2ASLC6A9BRD4SLC6A5
SCHEMBL1389596 0.90 GPBAR1 (0.41) GPBAR1KMT2ASLC6A9EGLN1SLC6A5
SCHEMBL1389730 0.90 GPBAR1 (0.41) GPBAR1KMT2ASLC6A9EGLN1SLC6A5
SCHEMBL1389593 0.90 GPBAR1 (0.41) GPBAR1KMT2ASLC6A9EGLN1SLC6A5
SCHEMBL1389743 0.89 GPBAR1 (0.51) GPBAR1BRD4F9
SCHEMBL1389744 0.89 GPBAR1 (0.51) GPBAR1BRD4F9
SCHEMBL1389738 0.89 GPBAR1 (0.51) GPBAR1BRD4F9
SCHEMBL368294 0.86 GPBAR1 (0.42) GPBAR1

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885KMT2A 3981/4885SLC6A9 1778/4885

“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.