SCHEMBL73213

SCHEMBL73213

CCOC(=O)C1CCC(OC(C(=O)Cc2ccc(NC(=O)c3csc4ccccc34)c(OC)c2)(N2CCCC2)N2CCN(CC(F)(F)F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
PIN1 Q13526 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL73212 1.00 KMT2A (0.36) KMT2AALDH1A1MEN1ATMTHRB
SCHEMBL72655 0.93 ITGB1 (0.37) ALDH1A1HTR1AITGB1ITGA4PIN1
SCHEMBL72656 0.93 ITGB1 (0.37) ALDH1A1HTR1AITGB1ITGA4PIN1
SCHEMBL70896 0.93 ITGB1 (0.40) KMT2AALDH1A1ATMKDM4EPOLB
SCHEMBL70895 0.93 ITGB1 (0.40) KMT2AALDH1A1ATMKDM4EPOLB
SCHEMBL72536 0.88 ITGB1 (0.41) KMT2AALDH1A1MEN1ATMTHRB
SCHEMBL72537 0.88 ITGB1 (0.41) KMT2AALDH1A1MEN1ATMTHRB
SCHEMBL71909 0.85 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL71910 0.85 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL72284 0.81 ITGB1 (0.42) KMT2AMEN1THRBPOLBITGB1

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 6 patents. 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-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
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (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 KMT2A 568/4885ALDH1A1 216/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885ALDH1A1 207/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885ALDH1A1 525/4885MEN1 4226/4885

“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.