SCHEMBL20163748

SCHEMBL20163748

CCC(C(=O)O)N(Cc1ccccc1)C(=O)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
CTSK P43235 5/20 0.56
CTSL P07711 4/20 0.56
CTSB P07858 4/20 0.56
CTSS P25774 4/20 0.56
SYK P43405 1/20 0.47
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
ATM Q13315 1/20 0.46
CTRB1 P17538 2/20 0.46

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
SCHEMBL23040219 0.85 SYK (0.47) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL23040218 0.85 SYK (0.47) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL26926114 0.85 SYK (0.47) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL31042500 0.84 CTSK (0.56) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL24929859 0.83 MEN1 (0.55) MEN1LMNAKMT2ACTSKCTSL
Hydrochloric Acid SCHEMBL7400995 0.79 CTSK (0.60) MEN1LMNAKMT2ACTSKCTSL
Hydrochloric Acid SCHEMBL7400990 0.79 CTSK (0.60) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL20163951 0.79 MEN1 (0.48) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL23055305 0.79 SYK (0.47) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL28750685 0.79 SYK (0.47) MEN1LMNAKMT2ACTSKCTSL

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 3 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

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 MEN1 3412/4885LMNA 3136/4885KMT2A 4539/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA MEN1 3412/4885LMNA 3136/4885KMT2A 4539/4885

“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.