SCHEMBL8201280

SCHEMBL8201280

CC[C@H]1CC[C@H](NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HTT P42858 1/20 0.37
PGR P06401 1/20 0.35
DRD2 P14416 8/20 0.35
HTR2A P28223 8/20 0.35
DRD3 P35462 8/20 0.35
HTR1A P08908 1/20 0.34
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL8294594 1.00 CA12 (0.42) CA12CA7CA14HTTPGR
SCHEMBL15014471 1.00 CA12 (0.42) CA12CA7CA14HTTPGR
SCHEMBL12424331 0.88 CA12 (0.34) CA12CA7CA14HTTPGR
SCHEMBL15836240 0.83 CA12 (0.58) CA12CA7CA14PGRCA1
SCHEMBL48337 0.83
SCHEMBL12017973 0.81 CA12 (0.41) CA12CA7CA14PGRDRD2
SCHEMBL12017941 0.81 CA12 (0.41) CA12CA7CA14DRD2HTR2A
SCHEMBL12017965 0.81 CA12 (0.41) CA12CA7CA14PGRDRD2
SCHEMBL17507854 0.81 CA12 (0.41) CA12CA7CA14DRD2HTR2A
SCHEMBL9215445 0.81 CA12 (0.41) CA12CA7CA14PGRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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 (4 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A CA12 4879/4885CA7 4816/4885CA14 4872/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CA12 376/4885CA7 567/4885CA14 659/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK CA12 4612/4885CA7 4158/4885CA14 4576/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CA12 374/4885CA7 548/4885CA14 609/4885

“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.