SCHEMBL5992934

SCHEMBL5992934

CCC1CCCN1C(=O)C(NC(=O)COC)C(C)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ELANE P08246 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.33

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
SCHEMBL12075271 0.86 CYP3A4 (0.40) L3MBTL1ATMALDH1A1KMT2ADPP4
SCHEMBL12727058 0.86 CYP3A4 (0.40) L3MBTL1ATMALDH1A1KMT2ADPP4
SCHEMBL10281921 0.86 CYP3A4 (0.40) L3MBTL1ATMALDH1A1KMT2ADPP4
SCHEMBL15765640 0.85 DPP4 (0.36) ALDH1A1KMT2ADPP4DPP8DPP9
SCHEMBL13014798 0.83 DPP4 (0.35) ALDH1A1DPP4DPP8DPP9ELANE
SCHEMBL10299215 0.82 ELANE (0.46) ELANELMNAMAPTKDM4E
SCHEMBL5993642 0.81 ELANE (0.43) ELANELMNAMAPTKDM4EXPNPEP1
SCHEMBL5993884 0.80 ATM (0.38) L3MBTL1ATMALDH1A1KMT2AELANE
SCHEMBL12824411 0.78 ALDH1A1 (0.35) L3MBTL1ATMALDH1A1KMT2ADPP4
SCHEMBL20707006 0.77 CYP3A4 (0.39) L3MBTL1DPP4DPP8DPP9ELANE

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-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US 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 (4 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885ATM 4146/4885ALDH1A1 2858/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885ATM 4146/4885ALDH1A1 2858/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885ATM 4146/4885ALDH1A1 2858/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885ATM 4146/4885ALDH1A1 2858/4885

“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.