SCHEMBL5963636

SCHEMBL5963636

CC(C)C[C@@H]1NC(=O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.38
MAN2B1 O00754 1/20 0.33
IDUA P35475 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21944971 0.79 MAN2B1 (0.32) MAN2B1IDUA
SCHEMBL4174353 0.75
SCHEMBL7329550 0.74 CTSD (0.32) CTSDMEN1KMT2A
SCHEMBL7329555 0.74 CTSD (0.32) CTSDMEN1KMT2A
SCHEMBL7329562 0.74 CTSD (0.32) CTSDMEN1KMT2A
SCHEMBL4963985 0.74 CTSD (0.32) CTSDMEN1KMT2A
SCHEMBL14003990 0.74 CTSD (0.36) CTSD
SCHEMBL30500436 0.72 CTSD (0.34) CTSDMEN1KMT2A
SCHEMBL17815474 0.72 MAN2B1 (0.31) MAN2B1
SCHEMBL29360124 0.71 MEN1 (0.35) CTSDMEN1KMT2A

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-10975091-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2021-04-13 US disclosed
EP-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed
US-20200055868-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2020-02-20 US disclosed
EP-3228616-B1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2019-10-16 EP disclosed
US-10421762-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2019-09-24 US disclosed
US-20180327418-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2018-11-15 US disclosed
US-10059720-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2018-08-28 US disclosed
US-10005762-B2 Pyridine derivatives ASTELLAS PHARMA INC. (JP) 2018-06-26 US disclosed
US-20170362209-A1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
EP-3228616-A1 PYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2017-10-11 EP disclosed
EP-3150581-A1 PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2017-04-05 EP disclosed
EP-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed
US-6187916-B1 Process for the preparation of taxane derivatives and β-lactam intermediates therefor RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-02-13 US disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 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 (7 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-10005762-B2 Pyridine derivatives LAP3, PREP, DNPEP CTSD 517/4885MAN2B1 953/4885IDUA 33/4885
US-20200055868-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP CTSD 484/4885MAN2B1 1008/4885IDUA 41/4885
US-10975091-B2 Pyridine derivative LAP3, PREP, DNPEP CTSD 484/4885MAN2B1 1008/4885IDUA 41/4885
US-20180327418-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP CTSD 484/4885MAN2B1 1008/4885IDUA 41/4885
US-10059720-B2 Pyridine derivative LAP3, PREP, DNPEP CTSD 484/4885MAN2B1 1008/4885IDUA 41/4885
US-20170362209-A1 PYRIDINE DERIVATIVES LAP3, PREP, DNPEP CTSD 517/4885MAN2B1 953/4885IDUA 33/4885
US-10421762-B2 Pyridine derivative LAP3, PREP, DNPEP CTSD 484/4885MAN2B1 1008/4885IDUA 41/4885

“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.