SCHEMBL71415

SCHEMBL71415

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)O)cc2Cl)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.60
ITGA4 P13612 8/20 0.60
MAOB P27338 2/20 0.47
LMNA P02545 2/20 0.45
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR2 O95136 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC3 O15379 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
SCHEMBL71040 0.91 ITGB1 (0.57) ITGB1ITGA4MAOBLMNAALDH1A1
SCHEMBL2435704 0.91 ITGB1 (0.51) ITGB1ITGA4LMNAEP300CREBBP
SCHEMBL14591764 0.90 ITGB1 (0.57) ITGB1ITGA4MAOBLMNAEP300
SCHEMBL2429977 0.89 ITGB1 (0.50) ITGB1ITGA4EP300CREBBPMAPT
SCHEMBL2432672 0.89 ITGB1 (0.52) ITGB1ITGA4MAOBMAPT
SCHEMBL91559 0.89 ITGB1 (0.49) ITGB1ITGA4MAOBLMNAEP300
SCHEMBL14771988 0.87 ITGB1 (0.48) ITGB1ITGA4MAOBLMNAEP300
SCHEMBL2432198 0.87 ITGB1 (0.48) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL2429778 0.86 ITGB1 (0.51) ITGB1ITGA4LMNAEP300CREBBP
SCHEMBL5708295 0.85 ITGB1 (0.49) ITGB1ITGA4LMNAEP300CREBBP

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (6 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 ITGB1 16/4885ITGA4 3/4885MAOB 2184/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGB1 13/4885ITGA4 3/4885MAOB 2935/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ITGB1 9/4885ITGA4 3/4885MAOB 2910/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885MAOB 2580/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885MAOB 3331/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885MAOB 685/4885

“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.