SCHEMBL2162758

SCHEMBL2162758

O=C(Oc1ccc([N+](=O)[O-])cc1)OC(CS(=O)(=O)Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ MGLL Q99685 3/20 0.41
▸ FAAH O00519 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ CTSS P25774 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
SCHEMBL2162752 1.00 MAPT (0.46) MAPTALDH1A1HTTRAB9AMGLL
SCHEMBL12196232 0.85 MAPT (0.47) MAPTALDH1A1HTTRAB9AMGLL
SCHEMBL14139306 0.81 MAPT (0.52) MAPTRAB9AMGLLPOLB
SCHEMBL12400766 0.80 MAPT (0.42) MAPTRAB9AMGLLFAAHPOLB
SCHEMBL5126112 0.78 MAPT (0.52) MAPTHTTRAB9APOLBCTSS
SCHEMBL5126103 0.78 MAPT (0.52) MAPTHTTRAB9APOLBCTSS
SCHEMBL2162730 0.76 CTSS (0.48) MAPTALDH1A1RAB9APOLBCTSS
SCHEMBL2162724 0.76 CTSS (0.48) MAPTALDH1A1RAB9APOLBCTSS
SCHEMBL12196254 0.76 CTSS (0.48) MAPTALDH1A1RAB9APOLBCTSS
SCHEMBL6649897 0.72 KMT2A (0.51) ALDH1A1HTTRAB9APOLBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 — — EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 — — US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 — — US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 — — US disclosed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 — — EP disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 — — US disclosed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 — — EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 — — 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF MAPT 1035/4885ALDH1A1 3425/4885HTT 196/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF MAPT 1035/4885ALDH1A1 3425/4885HTT 196/4885

“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.

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