SCHEMBL4610464

SCHEMBL4610464

CC(C)(C)OC(=O)C(CBr)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
AKT1 P31749 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM1 P11229 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL2293652 0.85 MEN1 (0.55) L3MBTL1KMT2ALMNAMEN1KDM4E
SCHEMBL8011431 0.83 MAPT (0.45) AAK1CTSSCTSKATML3MBTL1
SCHEMBL27663392 0.83 MAPT (0.45) AAK1CTSSCTSKATML3MBTL1
SCHEMBL28246353 0.83 AAK1 (0.42) AAK1CTSSCTSKATML3MBTL1
SCHEMBL15268712 0.83 SLC6A2 (0.42) AAK1CTSSCTSKATML3MBTL1
SCHEMBL28271058 0.82 AAK1 (0.44) AAK1CTSSCTSKATML3MBTL1
SCHEMBL28022205 0.82 AAK1 (0.44) AAK1CTSSCTSKATML3MBTL1
SCHEMBL2291108 0.82 CTSK (0.44) AAK1CTSSCTSKATML3MBTL1
SCHEMBL28750863 0.81 AAK1 (0.39) AAK1CTSSCTSKATML3MBTL1
SCHEMBL1957995 0.81 KMT2A (0.58) KMT2ALMNAMEN1KDM4ECHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641771-B1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS UCB PHARMA SA (BE) 2008-10-15 EP disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-20060276507-A1 Hydroxamate sulfonamides as cd23 shedding inhibitors CELLTECH R&D LIMITED (GB) 2006-12-07 US disclosed
EP-1648868-B1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R&D LTD (GB) 2006-11-15 EP disclosed
US-20060241118-A1 Hydroxamate sulfonamides as cd23 shedding inhibitors CELLTECH R&D LIMITED (GB) 2006-10-26 US disclosed
EP-1648868-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS Celltech R & D Limited (GB) 2006-04-26 EP disclosed
WO-2004113298-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R & D LIMITED (GB) 2004-12-29 WO 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 (2 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-20060276507-A1 Hydroxamate sulfonamides as cd23 shedding inhibitors CD2, CD22, NEU3 AAK1 3592/4885CTSS 42/4885CTSK 324/4885
US-20060241118-A1 Hydroxamate sulfonamides as cd23 shedding inhibitors CD22, CD2, DPP3 AAK1 3457/4885CTSS 81/4885CTSK 478/4885

“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.