SCHEMBL4828758

SCHEMBL4828758

CC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
GAA P10253 1/20 0.39
KCNA5 P22460 1/20 0.38
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ELANE P08246 3/20 0.36

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
SCHEMBL4834842 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL6498155 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL6496216 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL5365086 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL4839537 0.85 GRN (0.36) ALDH1A1KMT2AMEN1GRNSORT1
SCHEMBL6495976 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL6495982 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL5363855 0.83 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL6494571 0.83 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HSD17B10USP2
SCHEMBL31052849 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
EP-1606258-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-12-21 EP disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
WO-2004083182-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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 (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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 2916/4885KMT2A 4179/4885MEN1 2440/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 3363/4885KMT2A 4038/4885MEN1 2649/4885

“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.