SCHEMBL6407908

SCHEMBL6407908

CC(C)(C)[C@H](c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
KMT2A Q03164 6/20 0.40
MMP13 P45452 2/20 0.40
APP P05067 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
SCD O00767 1/20 0.40
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
DYRK1A Q13627 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
AKR1B1 P15121 2/20 0.39
HTT P42858 2/20 0.39
ACP1 P24666 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6407905 1.00 MAPT (0.40) MAPTKMT2AMMP13APPMMP2
SCHEMBL6672983 0.69 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7200664 0.68 CYP1A2 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL26110 0.68 LMNA (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL25762 0.68 LMNA (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL25763 0.68 LMNA (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL24651 0.68 LMNA (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL24652 0.68 LMNA (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL23424732 0.67 HPGD (0.59) MAPTALDH1A1LMNAMAPK1CYP2C9
SCHEMBL26588 0.67 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1LMNA

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ MAPT 3643/4885KMT2A 388/4885MMP13 421/4885

“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.