SCHEMBL2897805

SCHEMBL2897805

CON(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.67
CTSS P25774 3/20 0.63
PPARG P37231 1/20 0.61
JAK3 P52333 1/20 0.57
BTK Q06187 1/20 0.57
RAB9A P51151 1/20 0.54
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
REN P00797 1/20 0.47

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
SCHEMBL2897802 1.00 PPARA (0.67) PPARACTSSPPARGJAK3BTK
SCHEMBL30836085 1.00 PPARA (0.67) PPARACTSSPPARGJAK3BTK
SCHEMBL2890895 0.89 JAK3 (0.60) PPARACTSSPPARGJAK3BTK
SCHEMBL2890892 0.89 JAK3 (0.60) PPARACTSSPPARGJAK3BTK
SCHEMBL6557659 0.86 JAK3 (0.61) PPARACTSSPPARGJAK3BTK
SCHEMBL1204211 0.86 JAK3 (0.61) PPARACTSSPPARGJAK3BTK
SCHEMBL2948481 0.84 PPARA (0.74) PPARACTSSPPARGRAB9AKLK7
SCHEMBL5249102 0.84 PPARA (0.74) PPARACTSSPPARGRAB9AKLK7
SCHEMBL2948482 0.84 PPARA (0.74) PPARACTSSPPARGRAB9AKLK7
SCHEMBL1132901 0.84 PPARA (0.90) PPARACTSSPPARGRAB9AKLK7

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 3 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-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 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 (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-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 PPARA 2016/4885CTSS 2059/4885PPARG 2738/4885
US-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP PPARA 4759/4885CTSS 1861/4885PPARG 4662/4885

“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.