SCHEMBL22647600

SCHEMBL22647600

CC(C)CC(NC(=O)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.49
PSEN2 P49810 8/20 0.49
APH1B Q8WW43 8/20 0.49
NCSTN Q92542 8/20 0.49
APH1A Q96BI3 8/20 0.49
PSENEN Q9NZ42 8/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
ATM Q13315 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL22647598 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29405291 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22649244 0.90 HCRTR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22651774 0.90 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22647455 0.88 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29471100 0.88 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22649160 0.88 MEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22649386 0.87 KLK5 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22647533 0.87 KLK5 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29405788 0.87 KLK5 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020227594-A1 COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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 (1 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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC PSEN1 2991/4885PSEN2 3396/4885APH1B 265/4885

“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.