SCHEMBL6841176

SCHEMBL6841176

CC(C)C[C@@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.67
CTSS P25774 4/20 0.62
CTSL P07711 4/20 0.62
CTSB P07858 2/20 0.62
ATM Q13315 1/20 0.58
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL27926954 1.00 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL7422252 1.00 CTSK (0.67) CTSKCTSSCTSLCTSBATM
Cyclohexane SCHEMBL8924640 0.93 CTSK (0.60) CTSKCTSSCTSLCTSBATM
SCHEMBL13534727 0.89 NPC1 (0.65) CTSKCTSSCTSLCTSBATM
SCHEMBL4033719 0.89 NPC1 (0.65) CTSKCTSSCTSLCTSBATM
SCHEMBL14514052 0.88 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL18848786 0.88 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL10108119 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBATM
SCHEMBL5268187 0.86 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL1547277 0.86 ATM (0.59) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CTSK 76/4885CTSS 62/4885CTSL 18/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP CTSK 76/4885CTSS 62/4885CTSL 18/4885

“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.