SCHEMBL627874

SCHEMBL627874

CC(C)(C)OC(=O)C(NC(=O)OC1CCOC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.35
CTSS P25774 2/20 0.35
MAPK1 P28482 2/20 0.35
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CTSD P07339 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
CNR1 P21554 1/20 0.33
TBXAS1 P24557 1/20 0.33
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
HCRTR2 O43614 1/20 0.30
BTK Q06187 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL627873 1.00 CTSL (0.35) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL627872 1.00 CTSL (0.35) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL18075352 0.90 CTSL (0.36) CTSLCTSSPDE4DGAAAAK1
SCHEMBL18075353 0.90 CTSL (0.36) CTSLCTSSPDE4DGAAAAK1
SCHEMBL4259670 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL627444 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL8128957 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL10137338 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL13757740 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL627445 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CTSL 807/4885CTSS 445/4885MAPK1 2093/4885

“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.