SCHEMBL18915447

SCHEMBL18915447

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTSK P43235 7/20 0.41
▸ CTSS P25774 6/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ PPARA Q07869 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ CAPN1 P07384 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ PPARD Q03181 1/20 0.36

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
SCHEMBL18915722 0.91 CTSK (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18206209 0.90 CTSK (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18206212 0.90 CTSK (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18914994 0.87 CTSK (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL21510656 0.87 HTT (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18221163 0.87 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18206129 0.86 CTSK (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18206128 0.86 CTSK (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL20095048 0.85 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL20799085 0.85 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK

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 CYP1A2 176/4885CYP2C9 179/4885CYP2C19 387/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CYP1A2 176/4885CYP2C9 179/4885CYP2C19 387/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CYP1A2 176/4885CYP2C9 179/4885CYP2C19 387/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CYP1A2 176/4885CYP2C9 179/4885CYP2C19 387/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CYP1A2 176/4885CYP2C9 179/4885CYP2C19 387/4885

“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.

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