SCHEMBL2432393

SCHEMBL2432393

COC(=O)c1ccc(OCN2CCC(F)(F)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 3/20 0.46
CYP3A4 P08684 3/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CYP26A1 O43174 2/20 0.41

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
SCHEMBL63672 0.82 KDM4E (0.67) MAPTKDM4EHRH3ALDH1A1RAB9A
SCHEMBL2428990 0.79 KDM4E (0.67) MAPTKDM4EHRH3ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5153246 0.78 KDM4E (0.65) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2432129 0.76 MAPT (0.60) MAPTKDM4EALDH1A1RAB9ACYP3A4
SCHEMBL5152173 0.75 MAPT (0.51) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL20897510 0.74 ALDH1A1 (0.55) MAPTALDH1A1RAB9ATSHRNPC1
SCHEMBL31043166 0.73 HRH3 (0.46) MAPTKDM4EHRH3RAB9ANPC1
SCHEMBL1287029 0.73 KDM4C (0.44) KDM4EHRH3RAB9ANPC1SMN1; SMN2
SCHEMBL26144991 0.72 LOXL2 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28883069 0.71 CRBN (0.54) ALDH1A1CYP3A4TSHRSMN1; SMN2

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 MAPT 4631/4885KDM4E 1271/4885HRH3 130/4885

“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.