SCHEMBL4874282

SCHEMBL4874282

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
BCL2 P10415 1/20 0.43
SPPL2A Q8TCT8 1/20 0.42
REN P00797 3/20 0.41
CACNA1B Q00975 1/20 0.40
CTSD P07339 2/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
CNR1 P21554 1/20 0.40
TBXAS1 P24557 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL4874277 1.00 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4873630 0.92 BCL2 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4873624 0.92 BCL2 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6618272 0.90 CTSD (0.41) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL4870482 0.89 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4870486 0.89 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4874005 0.89 CTSD (0.42) SPPL2ACTSDBACE1
SCHEMBL4873997 0.89 CTSD (0.42) SPPL2ACTSDBACE1
SCHEMBL14065956 0.86 ALOX5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4872813 0.85 MLNR (0.46) KLK5PSEN1PSEN2APH1BNCSTN

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-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 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 (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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KLK5 386/4885PSEN1 327/4885PSEN2 524/4885

“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.