SCHEMBL4316070

SCHEMBL4316070

C[C@@H]1CC[C@H](NC(=O)[CH]C[C@H](C)C(N)=O)[C@@H](O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CACNA1B Q00975 10/20 0.36
EPHX2 P34913 1/20 0.34
PPARD Q03181 2/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HSD11B1 P28845 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AKR1C3 P42330 1/20 0.33
RORC P51449 1/20 0.32
CXCR3 P49682 1/20 0.32

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
SCHEMBL4322023 0.85 CTSK (0.42)
SCHEMBL4312625 0.84 CTSK (0.40)
SCHEMBL4309293 0.84 CTSK (0.40)
SCHEMBL4328359 0.84 CTSK (0.40)
SCHEMBL4319067 0.84 CTSK (0.40)
SCHEMBL4314724 0.84 CTSK (0.40)
SCHEMBL4316073 0.83 CACNA1B (0.51) POLBCACNA1BPPARD
SCHEMBL4318920 0.80
SCHEMBL5958709 0.76 CTSK (0.44)
SCHEMBL4318752 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ POLB 3435/4885CACNA1B 4408/4885EPHX2 2782/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ POLB 3478/4885CACNA1B 4272/4885EPHX2 2574/4885

“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.