SCHEMBL4865802

SCHEMBL4865802

COc1ccc(S(=O)(=O)NOCC2CCCCO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HPGD P15428 4/20 0.61
NPC1 O15118 1/20 0.57
CXCR4 P61073 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 5/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4873735 0.81 MMP1 (0.52) ALDH1A1LMNAHTTKMT2APKM
SCHEMBL4872482 0.72 MMP1 (0.51) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL6038704 0.71 KDM4E (0.73) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL4873295 0.71 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL9336828 0.70 HPGD (0.50) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL9228437 0.70 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL10438380 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL10438378 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL10438379 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL17476507 0.69 RAB9A (0.54) ALDH1A1LMNASMN1; SMN2HPGDNPC1

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 ALDH1A1 1841/4885LMNA 3901/4885SMN1; SMN2 2199/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885LMNA 3901/4885SMN1; SMN2 2199/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885LMNA 3901/4885SMN1; SMN2 2199/4885

“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.