SCHEMBL18914994

SCHEMBL18914994

CC(C)COC(=O)[C@H](CC(=O)O[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CACNA1B Q00975 5/20 0.40
▸ PPARA Q07869 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37

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
SCHEMBL18206336 0.89 CYP2D6 (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18206334 0.89 CYP2D6 (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18915447 0.87 CYP1A2 (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18220951 0.86 CYP2D6 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18206345 0.85 CYP2D6 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18206348 0.85 CYP2D6 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21035087 0.85 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21664018 0.85 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18914992 0.84 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21446926 0.83 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2

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-11020386-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2021-06-01 — — US disclosed
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 — — US disclosed
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 — — US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 — — US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — 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 (5 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-10226456-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CTSK 958/4885CTSS 605/4885CTSL 2530/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CTSK 958/4885CTSS 605/4885CTSL 2530/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CTSK 958/4885CTSS 605/4885CTSL 2530/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CTSK 958/4885CTSS 605/4885CTSL 2530/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CTSK 958/4885CTSS 605/4885CTSL 2530/4885

“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.

Send feedback