SCHEMBL4873733

SCHEMBL4873733

COc1ccc(S(N)(=O)=O)c(OCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.53
PARP15 Q460N3 4/20 0.53
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
ELANE P08246 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
CYP19A1 P11511 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX4 Q99571 1/20 0.39

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
SCHEMBL4873291 0.80 PDE4B (0.44) MEN1KMT2AP2RX4
SCHEMBL14084720 0.79 PARP15 (0.58) PARP10PARP15ELANENPC1RAB9A
SCHEMBL4872476 0.79 PDE4B (0.45)
SCHEMBL1703386 0.78 P2RX4 (0.48) PARP10PARP15CCNB2CDK1CCNB1
SCHEMBL9043814 0.77 PIK3CG (0.43) POLB
SCHEMBL2611727 0.77 PARP10 (0.53) PARP10PARP15
SCHEMBL20303710 0.76 P2RX4 (0.49) PARP10PARP15CDK1CCNB1CCNA2
SCHEMBL1923292 0.76 PARP10 (0.52) PARP10PARP15
SCHEMBL8162134 0.76 PARP15 (0.46) PARP10PARP15CCNB2CDK1CCNB1
SCHEMBL29551296 0.75 PKM (0.55) CYP19A1

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 6 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-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 EP disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 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 (3 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 PARP10 992/4885PARP15 485/4885CCNB2 2346/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP PARP10 992/4885PARP15 485/4885CCNB2 2346/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP PARP10 992/4885PARP15 485/4885CCNB2 2346/4885

“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.