SCHEMBL21170204

SCHEMBL21170204

CC(C)C[C@@H](O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.51
PSEN2 P49810 6/20 0.51
APH1B Q8WW43 6/20 0.51
NCSTN Q92542 6/20 0.51
APH1A Q96BI3 6/20 0.51
PSENEN Q9NZ42 6/20 0.51
APP P05067 1/20 0.51
KLK5 Q9Y337 2/20 0.48
REN P00797 1/20 0.46
CTSS P25774 7/20 0.46
CTSK P43235 6/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL18930230 1.00 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18930599 0.88 CTSS (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21144822 0.88 CTSS (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5945619 0.88 KLK5 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5945647 0.87 KLK5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629197 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7629200 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21144772 0.83 REN (0.41) RENCTSSCTSKCTSLCTSB
SCHEMBL21144769 0.83 REN (0.41) RENCTSSCTSKCTSLCTSB
SCHEMBL21144931 0.83 REN (0.41) RENCTSSCTSKCTSLCTSB

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L PSEN1 3111/4885PSEN2 2514/4885APH1B 1555/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L PSEN1 3111/4885PSEN2 2514/4885APH1B 1555/4885

“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.