SCHEMBL2433161

SCHEMBL2433161

COC(=O)C(F)c1ccc(N)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.38
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 6/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
GFER P55789 1/20 0.36
ALOX5 P09917 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL7976546 0.87 ALDH1A1 (0.51) MT-CO2ALOX15HSD17B10GAAALDH1A1
SCHEMBL7708885 0.84 HDAC1 (0.42) ALOX15HSD17B10GAAALDH1A1TSHR
SCHEMBL2437666 0.80 HSD17B10 (0.42) ALOX15HSD17B10CYP3A4GAAALDH1A1
SCHEMBL7714952 0.78 SLC6A3 (0.46) CYP3A4GAAALDH1A1TSHRALOX5
SCHEMBL2432560 0.76 GPR35 (0.45) HSD17B10CYP3A4ALDH1A1TSHRBLM
SCHEMBL27441057 0.75 ESR1 (0.54) ESR1ESR2KMT2ACA12CA1
SCHEMBL4507232 0.75 CES2 (0.45) ALDH1A1SLC6A3KMT2AMAPTMEN1
SCHEMBL6034588 0.73 KMT2A (0.46) CYP3A4GAATSHRBLMSLC6A3
SCHEMBL7976616 0.73 ALDH1A1 (0.46) ALOX15HSD17B10GAAALDH1A1TSHR
SCHEMBL27533485 0.73 ALOX15 (0.50) ALOX15HSD17B10CYP3A4GAAALDH1A1

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 MT-CO2 4618/4885ALOX15 161/4885HSD17B10 1607/4885

“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.