SCHEMBL2433554

SCHEMBL2433554

CCn1cc(C(=O)Nc2ccc(CC(=O)O)cc2Cl)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.58
ITGA4 P13612 2/20 0.58
LMNA P02545 1/20 0.56
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NR4A2 P43354 1/20 0.48
POLB P06746 1/20 0.47
HAT1 O14929 2/20 0.46
EP300 Q09472 2/20 0.46
CNR2 P34972 5/20 0.46
CNR1 P21554 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL2433520 0.91 HDAC1 (0.52) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL2440040 0.90 ITGB1 (0.57) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL2431865 0.87 ITGB1 (0.57) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL2435675 0.84 ITGB1 (0.45) ITGB1ITGA4HDAC1HDAC6POLB
SCHEMBL2438014 0.83 ITGB1 (0.51) ITGB1ITGA4HDAC1HDAC6POLB
SCHEMBL2432811 0.77 ITGB1 (0.65) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL2432807 0.77 ITGB1 (0.65) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL2429129 0.77 ITGB1 (0.55) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL14626753 0.76 ITGB1 (0.45) ITGB1ITGA4LMNAHDAC1HDAC6
SCHEMBL14591768 0.76 ITGB1 (0.53) ITGB1ITGA4LMNAHDAC1HDAC6

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 10 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
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN 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 ITGB1 5/4885ITGA4 4/4885LMNA 2852/4885

“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.