SCHEMBL13010608

SCHEMBL13010608

COC(=O)CC1(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 2/20 0.35
DGAT1 O75907 1/20 0.32
TP53 P04637 1/20 0.31
ASGR1 P07306 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA7 P43166 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6138236 0.83 ASGR1 (0.32) ASGR1HDAC1HDAC2HDAC6
SCHEMBL22946716 0.81
SCHEMBL23562270 0.80 ASGR1 (0.32) DGAT1ASGR1HDAC1HDAC2HDAC6
SCHEMBL12209106 0.80 ASGR1 (0.39) CA14ASGR1HDAC1HDAC2HDAC6
SCHEMBL15908023 0.80 CTSD (0.34) CA14CA12CA1ASGR1CA7
SCHEMBL18587027 0.79 CA14 (0.38) CA14CA12CA2CA1MEN1
SCHEMBL29818922 0.78 ASGR1 (0.33) ASGR1HDAC1HDAC2HDAC6
SCHEMBL7610203 0.78 ASGR1 (0.33) CA14ASGR1HDAC1HDAC2HDAC6
SCHEMBL7608850 0.77 ASGR1 (0.35) CA14ASGR1HDAC1HDAC2HDAC6
SCHEMBL6138376 0.75 HDAC6 (0.33) CA14ASGR1HDAC1HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210046057-A1 Beta-lactamase inhibitor and use thereof Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2021-02-18 US disclosed
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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 (2 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG CA14 3066/4885CA12 3079/4885CA2 2248/4885
US-20210046057-A1 Beta-lactamase inhibitor and use thereof CYP51A1, LCT, CEL CA14 1259/4885CA12 1450/4885CA2 1322/4885

“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.