SCHEMBL20163951

SCHEMBL20163951

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
CTSK P43235 6/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
CTSS P25774 4/20 0.47
ATM Q13315 1/20 0.46
CTRB1 P17538 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL6407665 0.79 ATM (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL14999596 0.79 ATM (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL13572927 0.79 ATM (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL20163748 0.79 MEN1 (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL6779457 0.79 CTSK (0.56) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL6779459 0.79 CTSK (0.56) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL841079 0.76 LMNA (0.49) MEN1LMNAKMT2ARAB9A
SCHEMBL842374 0.76 LMNA (0.49) MEN1LMNAKMT2ARAB9A
SCHEMBL18368249 0.76 MEN1 (0.47) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL6358961 0.76 ATM (0.58) CTSKCTSLCTSBCTSSATM

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.