SCHEMBL2433768

SCHEMBL2433768

Cn1cc(C(=O)Nc2ccc(CC(=O)O)cc2F)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NR4A2 P43354 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL70951 0.88 RAB9A (0.52) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL2431865 0.87 ITGB1 (0.57) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL72352 0.85 POLB (0.61) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL2435704 0.85 ITGB1 (0.51) LMNAPOLBMAPTALDH1A1ITGB1
SCHEMBL91559 0.81 ITGB1 (0.49) LMNAPOLBMAPTALDH1A1ITGB1
SCHEMBL71415 0.80 ITGB1 (0.60) LMNAMAPTALDH1A1ITGB1ITGA4
SCHEMBL14771988 0.79 ITGB1 (0.48) LMNAPOLBMAPTALDH1A1ITGB1
SCHEMBL2429778 0.79 ITGB1 (0.51) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL92338 0.78 KMT2A (0.53) LMNAPOLBMAPTALDH1A1EP300
SCHEMBL14626962 0.77 POLB (0.63) LMNAPOLBMAPTALDH1A1KDM4E

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 LMNA 2852/4885POLB 4164/4885MAPT 4631/4885

“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.