SCHEMBL2162730

SCHEMBL2162730

O=C(Oc1ccc([N+](=O)[O-])cc1)OC(CC1CCCCC1)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.48
▸ CTSL P07711 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41

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
SCHEMBL2162724 1.00 CTSS (0.48) CTSSCTSLCTSKMAPTCYP1A2
SCHEMBL12196254 1.00 CTSS (0.48) CTSSCTSLCTSKMAPTCYP1A2
SCHEMBL14139306 0.84 MAPT (0.52) MAPTRAB9APOLBAKR1C3
SCHEMBL14139290 0.83 CTSS (0.49) CTSSCTSLCTSKMAPTCYP1A2
SCHEMBL5126103 0.81 MAPT (0.52) CTSSCTSKMAPTRAB9APOLB
SCHEMBL5126112 0.81 MAPT (0.52) CTSSCTSKMAPTRAB9APOLB
SCHEMBL5128339 0.79 MAPT (0.47) MAPTCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL12196232 0.79 MAPT (0.47) MAPTALDH1A1RAB9APOLBAKR1C3
SCHEMBL3950611 0.79 MAPT (0.47) MAPTCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL4754617 0.77 SMN1; SMN2 (0.46) MAPTCYP1A2CYP2D6ALDH1A1

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 CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.

Send feedback