SCHEMBL18206801

SCHEMBL18206801

CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ TDP1 Q9NUW8 9/20 0.47
▸ ATM Q13315 2/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL18206800 1.00 CA1 (0.49) CA1CA2TDP1ATMNPSR1
SCHEMBL29400712 0.94 TDP1 (0.48) CA1CA2TDP1ATMNPSR1
SCHEMBL9931542 0.94 TDP1 (0.48) CA1CA2TDP1ATMNPSR1
SCHEMBL3754005 0.94 TDP1 (0.48) CA1CA2TDP1ATMNPSR1
SCHEMBL12604209 0.91 MEN1 (0.48) CA1CA2TDP1ATMNPSR1
SCHEMBL30895563 0.91 MEN1 (0.48) CA1CA2TDP1ATMNPSR1
SCHEMBL21901505 0.90 MEN1 (0.44) CA1CA2TDP1ATMNPSR1
SCHEMBL16076756 0.89 MEN1 (0.49) CA1CA2TDP1ATMNPSR1
SCHEMBL12509746 0.89 SIRT1 (0.38) CA1CA2TDP1ATMNPSR1
SCHEMBL15893373 0.87 TDP1 (0.44) CA1CA2TDP1ATMNPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806404-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-07 — — US disclosed
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US disclosed
US-11020386-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2021-06-01 — — US disclosed
US-11020386-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2021-06-01 — — US disclosed
US-10973923-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 — — US disclosed
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 — — US disclosed
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 — — US disclosed
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-29 — — US disclosed
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 — — 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-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 — — 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
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — US disclosed
WO-2016207090-A2 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 — — WO disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 — — US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 — — US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 — — 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 (10 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 CA1 1800/4885CA2 3127/4885TDP1 3101/4885
US-11806404-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C CA1 3246/4885CA2 2575/4885TDP1 675/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CA1 1800/4885CA2 3127/4885TDP1 3101/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 CA1 1800/4885CA2 3127/4885TDP1 3101/4885
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C CA1 3246/4885CA2 2575/4885TDP1 675/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CA1 1800/4885CA2 3127/4885TDP1 3101/4885
US-10973923-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C CA1 3246/4885CA2 2575/4885TDP1 675/4885
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C CA1 3246/4885CA2 2575/4885TDP1 675/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CA1 1800/4885CA2 3127/4885TDP1 3101/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CA1 1800/4885CA2 3127/4885TDP1 3101/4885

“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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