SCHEMBL86238

SCHEMBL86238

C[C@@H](CO)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MMP13 P45452 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
ASGR1 P07306 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL5565289 1.00 AAK1 (0.35) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL25536966 1.00 AAK1 (0.35) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL23773855 0.85 CHRNB2 (0.37) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL618047 0.85 CHRNB2 (0.37) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL19226352 0.82 AAK1 (0.37) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL20225541 0.82 AAK1 (0.37) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL86328 0.82 TDP1 (0.38) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL6514198 0.82 TDP1 (0.38) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL27822328 0.82 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL19390307 0.82 HDAC6 (0.36) AAK1HDAC6HDAC1HDAC2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426697-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-09-11 EP disclosed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230159557-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-05-25 US disclosed
US-20230159557-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-05-25 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
EP-1756038-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
WO-2005118525-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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-20230159557-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 AAK1 355/4885HDAC6 1639/4885HDAC1 2387/4885
US-11807649-B2 Fused tetracyclic quinazoline derivatives as inhibitors of ErbB2 ERBB2, ERBB3, BRCA1 AAK1 355/4885HDAC6 1639/4885HDAC1 2387/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 AAK1 4357/4885HDAC6 774/4885HDAC1 30/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 AAK1 2093/4885HDAC6 4041/4885HDAC1 4018/4885
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 AAK1 355/4885HDAC6 1639/4885HDAC1 2387/4885

“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.