SCHEMBL5150122

SCHEMBL5150122

COC(=O)c1ccc(OC[C@@H]2C[C@H](N)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
CHEK2 O96017 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL6543115 0.90 CYP1A2 (0.44) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL5155194 0.90 CYP1A2 (0.44) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL4298787 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19DRD2
SCHEMBL5149679 0.88 MAPT (0.43) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL5151613 0.87 MAPT (0.42) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL6966611 0.87 MAPT (0.42) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL4292244 0.86 HDAC8 (0.42)
SCHEMBL8061878 0.85 SRC (0.43)
SCHEMBL5153035 0.85 MAPT (0.40) MAPTMAPK1SMN1; SMN2TP53TSHR
SCHEMBL5151898 0.85 MAPT (0.40) MAPTMAPK1SMN1; SMN2TP53TSHR

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 3229/4885MAPK1 1100/4885SMN1; SMN2 4151/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885MAPK1 1430/4885SMN1; SMN2 4245/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885MAPK1 1178/4885SMN1; SMN2 4213/4885

“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.