SCHEMBL4867769

SCHEMBL4867769

Nc1ccc(S(=O)(=O)NOC2CCCC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PKM P14618 3/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
HTR6 P50406 1/20 0.40
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL14074428 0.85 BRD4 (0.38) KDM4EMAPTALDH1A1SMN1; SMN2RECQL
SCHEMBL4873352 0.84 KMT2A (0.47) KDM4EMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL4863860 0.81 POLB (0.48) ALDH1A1SMN1; SMN2PKMKMT2AHTR6
SCHEMBL4869134 0.76 CA2 (0.56) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL13045690 0.75 KDM4E (0.47) KDM4EMAPTALDH1A1SMN1; SMN2RECQL
SCHEMBL18770212 0.75 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL4872482 0.74 MMP1 (0.51) KDM4EALDH1A1SMN1; SMN2RECQLPKM
SCHEMBL4873295 0.73 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2PKMGAA
SCHEMBL4869169 0.70 ALDH1A1 (0.46) KDM4EMAPTALDH1A1PKMGAA
SCHEMBL24170274 0.70 CCR8 (0.47) KDM4EMAPTALDH1A1POLBHTT

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 10 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-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
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
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 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 (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 KDM4E 1492/4885MAPT 1933/4885ALDH1A1 1841/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KDM4E 1492/4885MAPT 1933/4885ALDH1A1 1841/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KDM4E 1492/4885MAPT 1933/4885ALDH1A1 1841/4885

“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.