SCHEMBL6897148

SCHEMBL6897148

CCOC(=O)NC(C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.57
CTSK P43235 3/20 0.57
CTSL P07711 4/20 0.56
CTSS P25774 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
IL1RN P18510 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.51
ELANE P08246 2/20 0.51
PRTN3 P24158 1/20 0.51

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
SCHEMBL24596987 0.94 CTSB (0.59) CTSBCTSKCTSLCTSSMEN1
SCHEMBL14595222 0.94 CTSB (0.59) CTSBCTSKCTSLCTSSMEN1
SCHEMBL11458944 0.89 CTSB (0.61) CTSBCTSKCTSLCTSSMEN1
SCHEMBL18558860 0.89 CTSK (0.57) CTSBCTSKCTSLCTSSMEN1
SCHEMBL12516497 0.88 ERAP2 (0.57) CTSBCTSKCTSLCTSSMEN1
SCHEMBL2221511 0.87 CTSB (0.56) CTSBCTSKCTSLCTSSMEN1
SCHEMBL10087949 0.87 CTSK (0.58) CTSBCTSKCTSLCTSSMEN1
SCHEMBL5392148 0.87 CTSB (0.56) CTSBCTSKCTSLCTSSMEN1
SCHEMBL5392144 0.87 CTSB (0.56) CTSBCTSKCTSLCTSSMEN1
SCHEMBL21074164 0.87 CTSB (0.47) CTSBCTSKCTSLCTSSMEN1

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-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
WO-2011084850-A1 PRODRUGS FOR THE TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISEASE ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CTSB 2720/4885CTSK 3161/4885CTSL 3126/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CTSB 1269/4885CTSK 1582/4885CTSL 1016/4885

“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.