SCHEMBL5149776

SCHEMBL5149776

COC(=O)c1ccc(OCN2CC[C@H](OC(C)=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5152142 0.88 HRH1 (0.43) KDM4EALDH1A1HRH2HRH1SMN1; SMN2
SCHEMBL5152173 0.83 MAPT (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5149767 0.79 KDM4E (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2428990 0.76 KDM4E (0.67) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5153246 0.75 KDM4E (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2432129 0.74 MAPT (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL19859008 0.73 ALDH1A1 (0.57) MAPTKDM4EALDH1A1KMT2ARAB9A
SCHEMBL22488324 0.73 KDM4E (0.53) KDM4EMEN1KMT2ADRD2
SCHEMBL22468572 0.73 KDM4E (0.53) KDM4EMEN1KMT2ADRD2
SCHEMBL25933643 0.72 HRH3 (0.58) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAPT 3229/4885KDM4E 695/4885ALDH1A1 146/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885KDM4E 409/4885ALDH1A1 120/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885KDM4E 669/4885ALDH1A1 135/4885

“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.