SCHEMBL92573

SCHEMBL92573

Cc1cc(Cl)c(NC(=O)c2cn(C)c3c(F)cccc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.42
POLB P06746 2/20 0.41
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
RORC P51449 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL91553 0.93 PCSK9 (0.42) PCSK9POLBITGB1ITGA4RAB9A
SCHEMBL91603 0.85 MAOB (0.51) ITGB1ITGA4RAB9AMAPTKMT2A
SCHEMBL14626750 0.84 ITGB1 (0.48) PCSK9POLBITGB1ITGA4RAB9A
SCHEMBL14591872 0.83 ITGA4 (0.47) PCSK9POLBITGB1ITGA4RAB9A
SCHEMBL92572 0.82 ALDH1A1 (0.44) POLBITGB1ITGA4RAB9AMAPT
SCHEMBL93047 0.81 RAB9A (0.43) POLBITGB1ITGA4RAB9AMAPT
SCHEMBL10285851 0.81 RAB9A (0.43) POLBITGB1ITGA4RAB9AMAPT
SCHEMBL14626742 0.80 ITGB1 (0.43) PCSK9POLBITGB1ITGA4RAB9A
SCHEMBL92496 0.80 MAPT (0.42) POLBITGB1ITGA4MAPTTP53
SCHEMBL92363 0.80 ITGB1 (0.42) POLBITGB1ITGA4MAPTTP53

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
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PCSK9 746/4885POLB 3346/4885ITGB1 16/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PCSK9 636/4885POLB 3839/4885ITGB1 13/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PCSK9 1144/4885POLB 3232/4885ITGB1 22/4885

“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.