SCHEMBL5153077

SCHEMBL5153077

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ITGA4 P13612 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
TP53 P04637 1/20 0.35
CETP P11597 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5153035 0.89 MAPT (0.40) MAPTGPR119MAPK1SMN1; SMN2HDAC1
SCHEMBL5151898 0.89 MAPT (0.40) MAPTGPR119MAPK1SMN1; SMN2HDAC1
SCHEMBL5155194 0.81 CYP1A2 (0.44) MAPTGPR119MAPK1SMN1; SMN2HDAC1
SCHEMBL6543115 0.81 CYP1A2 (0.44) MAPTGPR119MAPK1SMN1; SMN2HDAC1
SCHEMBL5149679 0.81 MAPT (0.43) MAPTMAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL5153275 0.81 MAPT (0.38) MAPTMAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL5151613 0.81 MAPT (0.42) MAPTMAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL5150122 0.81 MAPT (0.42) MAPTMAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL6966611 0.81 MAPT (0.42) MAPTMAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL5150176 0.78 MAPK1 (0.40) MAPTMAPK1SMN1; SMN2HDAC1HDAC6

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 3229/4885GPR119 193/4885MAPK1 1100/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885GPR119 233/4885MAPK1 1430/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885GPR119 192/4885MAPK1 1178/4885

“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.