SCHEMBL20163977

SCHEMBL20163977

CCC(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
CTSS P25774 4/20 0.46
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL18359423 1.00 CTSK (0.46) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL20182351 0.91 CTSK (0.49) CTSKCTSSTSHRITGB3ITGA2B
SCHEMBL20163855 0.88 CTSK (0.43) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL18359484 0.88 CTSK (0.43) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL18368260 0.85 CTSK (0.45) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL22683007 0.85 PIK3CD (0.42) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL18359411 0.85 PIK3CD (0.42) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL14751034 0.85 CTSK (0.47) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL20163918 0.83 CTSK (0.43) CTSKCTSSTSHRKMT2AITGB3
SCHEMBL18359395 0.83 CTSK (0.43) CTSKCTSSTSHRKMT2AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
US-9248942-B2 Liquid phase epoxidation process SOUTH BANK UNIVERSITY ENTERPRISES LTD. (GB) 2016-02-02 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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA CTSK 1442/4885CTSS 3381/4885TSHR 3466/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA CTSK 1442/4885CTSS 3381/4885TSHR 3466/4885

“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.