SCHEMBL3591335

SCHEMBL3591335

C=CCOC(=O)c1cnc(Cl)nc1NCC1CCC2(CC1)CC2C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.34
JAK2 O60674 6/20 0.34
JAK3 P52333 6/20 0.34
CTSS P25774 7/20 0.34
JAK1 P23458 4/20 0.33
TYK2 P29597 1/20 0.33
CYP3A4 P08684 1/20 0.32
CTSK P43235 3/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
CTSL P07711 3/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL3590099 0.86 CTSS (0.48) CTSSCTSKCTSL
SCHEMBL5570850 0.83 CTSS (0.40) JAK2JAK3CTSSJAK1TYK2
SCHEMBL3591329 0.74 SYK (0.35) SYKCYP3A4ALDH1A1L3MBTL1ADORA3
SCHEMBL23620395 0.72 SYK (0.48) SYKJAK2JAK3ALDH1A1ADORA3
SCHEMBL3601469 0.71 CYP3A4 (0.50) CYP3A4ALDH1A1L3MBTL1
SCHEMBL3601980 0.71 CYP3A4 (0.36) CYP3A4SCN9AALDH1A1
SCHEMBL3591331 0.70 CYP3A4 (0.33) CTSSCYP3A4CTSKCTSLSCN9A
SCHEMBL23625335 0.70 SYK (0.48) SYKCYP3A4ALDH1A1ADORA3ADORA2A
SCHEMBL31679507 0.70 ALDH1A1 (0.53) SYKJAK2JAK3JAK1CYP3A4
SCHEMBL28591038 0.69 SYK (0.46) SYKJAK2JAK3MERTKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF SYK 2849/4885JAK2 3349/4885JAK3 4398/4885

“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.