SCHEMBL2115205

SCHEMBL2115205

O=C(N[C@H]1c2cc(N3CCN(C4COC4)CC3)ccc2OC[C@@H]1O)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.72
DGAT2 Q96PD7 1/20 0.45
MAPT P10636 6/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35

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
SCHEMBL2732060 1.00 CTSS (0.72) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2112156 0.92 CTSS (0.67) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2710859 0.92 CTSS (0.67) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2113182 0.86 CTSS (0.65) CTSSMAPTCHRM2CHRM4CHRM1
SCHEMBL2115295 0.86 CTSS (0.55) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2732555 0.86 CTSS (0.55) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2112569 0.86 CTSS (0.66) CTSSMAPTALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL2113519 0.85 CTSS (0.54) CTSSDGAT2MAPTALDH1A1TP53
SCHEMBL2114397 0.85 CTSS (0.73) CTSSMAPTNPC1L1CHRM2CHRM4
SCHEMBL2112566 0.85 CTSS (0.68) CTSSDGAT2MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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 (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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV CTSS 1/4885DGAT2 3382/4885MAPT 940/4885

“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.