SCHEMBL2890892

SCHEMBL2890892

CON(C)C(=O)C(CCOCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.60
BTK Q06187 1/20 0.60
PPARA Q07869 3/20 0.58
PPARG P37231 2/20 0.53
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.47
RAB9A P51151 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL2890895 1.00 JAK3 (0.60) JAK3BTKPPARAPPARGCTSS
SCHEMBL2897805 0.89 PPARA (0.67) JAK3BTKPPARAPPARGCTSS
SCHEMBL30836085 0.89 PPARA (0.67) JAK3BTKPPARAPPARGCTSS
SCHEMBL2897802 0.89 PPARA (0.67) JAK3BTKPPARAPPARGCTSS
SCHEMBL6462882 0.86 JAK3 (0.64) JAK3BTKPPARAPPARGCTSS
SCHEMBL3763894 0.86 JAK3 (0.64) JAK3BTKPPARAPPARGCTSS
SCHEMBL3720453 0.86 JAK3 (0.64) JAK3BTKPPARAPPARGCTSS
SCHEMBL22344639 0.86 JAK3 (0.43) JAK3BTKPPARACTSB
SCHEMBL18989376 0.86 JAK3 (0.43) JAK3BTKPPARACTSB
SCHEMBL3348663 0.85 PPARA (0.64) PPARAPPARGCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP JAK3 1592/4885BTK 239/4885PPARA 4759/4885

“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.