SCHEMBL3554069

SCHEMBL3554069

NC[C@@H](N)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
SCN10A Q9Y5Y9 3/20 0.43
SLC6A4 P31645 1/20 0.42
ACACB O00763 1/20 0.42
EPHX1 P07099 2/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AKT1 P31749 1/20 0.40
SLC7A5 Q01650 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2B Q13224 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
SCHEMBL29006567 0.84 PTPN1 (0.44) PTPN1SCN10ASLC6A4ACACBEPHX1
Hydrochloric Acid SCHEMBL25380256 0.83 PTPN1 (0.43) PTPN1SCN10ASLC6A4ACACBEPHX1
SCHEMBL14478297 0.80 SLC6A4 (0.61) SCN10ASLC6A4ACACBEPHX1
SCHEMBL14478239 0.80 SLC6A4 (0.61) SCN10ASLC6A4ACACBEPHX1
SCHEMBL12706130 0.79 CYP1A2 (0.61) PTPN1SCN10ASLC6A4ACACBEPHX1
SCHEMBL31648483 0.78 PTPN1 (0.42) PTPN1SLC6A4ACACBEPHX1MAOB
SCHEMBL20799406 0.77 SLC6A4 (0.49) PTPN1SLC6A4ALDH1A1TSHRBCHE
SCHEMBL106741 0.77 HTR2C (0.54) SLC6A4EPHX1MAOBAOC3ALDH1A1
SCHEMBL3808619 0.76 PTPN1 (0.43) PTPN1SCN10ASLC6A4ACACBEPHX1
SCHEMBL1586263 0.76 SLC6A4 (0.66) SLC6A4MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (3 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PTPN1 3059/4885SCN10A 3803/4885SLC6A4 3366/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PTPN1 3059/4885SCN10A 3803/4885SLC6A4 3366/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PTPN1 3059/4885SCN10A 3803/4885SLC6A4 3366/4885

“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.