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SCHEMBL5149679

SCHEMBL5149679

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPK1 P28482 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 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 0.89 CYP1A2 (0.44) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5155194 0.89 CYP1A2 (0.44) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5150122 0.88 MAPT (0.42) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5151613 0.88 MAPT (0.42) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL6966611 0.88 MAPT (0.42) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5153035 0.86 MAPT (0.40) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5151898 0.86 MAPT (0.40) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL5150176 0.85 MAPK1 (0.40) MAPTHDAC1HDAC6MAPK1SMN1; SMN2
SCHEMBL2433143 0.84 MAPT (0.46) MAPTHDAC1HDAC6SMN1; SMN2RAB9A
SCHEMBL2433139 0.84 MAPT (0.46) MAPTHDAC1HDAC6SMN1; SMN2RAB9A

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 3229/4885HDAC1 1188/4885HDAC6 1240/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885HDAC1 1277/4885HDAC6 1340/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885HDAC1 1199/4885HDAC6 1316/4885

“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.