SCHEMBL8225610

SCHEMBL8225610

CC(C)[C@H]1COC(=O)N1C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
STAT3 P40763 1/20 0.41
PIK3CD O00329 1/20 0.40
IDH1 O75874 2/20 0.40
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4767695 0.87 IL6ST (0.52) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL19183081 0.87 IL6ST (0.52) IL6STSMN1; SMN2ALDH1A1HTTSTAT3
SCHEMBL4767686 0.87 IL6ST (0.52) IL6STSMN1; SMN2ALDH1A1HTTSTAT3
SCHEMBL4775861 0.87 IL6ST (0.52) IL6STSMN1; SMN2ALDH1A1HTTSTAT3
SCHEMBL4770816 0.87 IL6ST (0.52) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL9970272 0.87 IL6ST (0.66) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL14523671 0.87 IL6ST (0.66) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL13308119 0.86 IL6ST (0.51) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL14960195 0.86 IL6ST (0.51) IL6STHPGDALDH1A1STAT3PIK3CD
SCHEMBL7986602 0.81 ALDH1A1 (0.47) IL6STSMN1; SMN2HPGDALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 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 (1 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-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 IL6ST 2563/4885SMN1; SMN2 3934/4885NPC1 1618/4885

“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.