SCHEMBL879326

SCHEMBL879326

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CTSS P25774 10/20 0.46
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL938241 1.00 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL938304 1.00 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1688920 0.92 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3733285 0.92 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3735030 0.92 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL14721778 0.89 ACE (0.40) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL14721779 0.89 ACE (0.40) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL15962292 0.89 ACE (0.40) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18397664 0.88 CYP1A2 (0.57) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13239937 0.88 CTSK (0.43) 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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 EP disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 WO disclosed
EP-3697769-B1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NAT RECH SCIENT (FR) 2023-02-15 EP disclosed
EP-3697769-B1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NAT RECH SCIENT (FR) 2023-02-15 EP disclosed
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-28 US disclosed
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-28 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS UNIVERSITÉ DE STRASBOURG (50%) (FR) 2020-08-13 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
WO-2019076986-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-25 WO disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 (6 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CTSK 4046/4885CTSS 3028/4885CTSL 1267/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 CTSK 4046/4885CTSS 3028/4885CTSL 1267/4885
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CTSK 541/4885CTSS 751/4885CTSL 911/4885
US-20200255399-A1 6-SUBSTITUTED 3-FLUORO-2-PYRIDINALDOXIME, 3-FLUORO-2-PYRIDINE HYDROXAMIC ACID, AND 3-FLUORO-2-PYRIDINAMIDOXIME SCAFFOLDS PNPO, ACHE, PSEN2 CTSK 3504/4885CTSS 1451/4885CTSL 1943/4885
US-11370772-B2 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds PNPO, ACHE, PSEN2 CTSK 3504/4885CTSS 1451/4885CTSL 1943/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CTSK 4046/4885CTSS 3028/4885CTSL 1267/4885

“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.