SCHEMBL91559

SCHEMBL91559

Cc1cc(CC(=O)O)c(F)cc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.49
ITGA4 P13612 4/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 1/20 0.46
LMNA P02545 2/20 0.46
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
NR4A2 P43354 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.42
MITF O75030 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2435704 0.92 ITGB1 (0.51) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL71415 0.89 ITGB1 (0.60) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL14771988 0.88 ITGB1 (0.48) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL2429778 0.87 ITGB1 (0.51) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL14772099 0.82 ALDH1A1 (0.49) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL70951 0.82 RAB9A (0.52) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL92338 0.81 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL2433768 0.81 LMNA (0.50) ITGB1ITGA4ALDH1A1MAPTKMT2A
SCHEMBL12327693 0.80 KDM4E (0.46) ALDH1A1HDAC3HDAC1POLB
SCHEMBL14591764 0.79 ITGB1 (0.57) ITGB1ITGA4ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885ALDH1A1 525/4885

“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.