SCHEMBL12409587

SCHEMBL12409587

CC(C)(C)C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 4/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
SYK P43405 1/20 0.45
TACR1 P25103 2/20 0.45
ATM Q13315 1/20 0.44
CTRB1 P17538 1/20 0.44

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
SCHEMBL29401219 0.88 ALDH1A1 (0.54) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL4178755 0.88 ITGB3 (0.53) CTSLCTSBCTSSCTSKITGB3
SCHEMBL24795018 0.88 ITGB3 (0.53) CTSLCTSBCTSSCTSKITGB3
SCHEMBL254638 0.88 ITGB3 (0.53) CTSLCTSBCTSSCTSKITGB3
SCHEMBL31174184 0.86 CTSL (0.49) CTSLCTSBCTSSCTSKTACR1
SCHEMBL27506310 0.85 CTSL (0.51) CTSLCTSBCTSSCTSKITGB3
SCHEMBL7153638 0.84 POLB (0.53) SYKTACR1
SCHEMBL14423615 0.84 POLB (0.53) SYKTACR1
SCHEMBL5358594 0.84 POLB (0.53) SYKTACR1
SCHEMBL13995540 0.84 CTSL (0.63) CTSLCTSBCTSSCTSKITGB3

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-7973084-B2 High permeability through plasma membrane, nuclear membrane and blood-brain barrier; for delivering doxorubicin and paclitaxel to target cells; gene therapy POSTECH ACADEMY-INDUSTRIAL FOUNDATION (KR) 2011-07-05 US disclosed
US-20080039421-A1 Molecular Transporters Based On Alditol Or Inositol And Processes For The Preparation Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2008-02-14 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-20080039421-A1 Molecular Transporters Based On Alditol Or Inositol And Processes For The Preparation Thereof ALDOA, SLC29A1, SLC29A2 CTSL 4347/4885CTSB 4205/4885CTSS 4661/4885

“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.