SCHEMBL4873875

SCHEMBL4873875

COc1ccc(S(=O)(=O)NOCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
POLB P06746 2/20 0.61
KMT2A Q03164 1/20 0.56
CYP19A1 P11511 1/20 0.55
KCNA5 P22460 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.51
PGR P06401 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
PKM P14618 1/20 0.50
SQSTM1 Q13501 1/20 0.50

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
SCHEMBL10796915 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AHTTEGFRMMP1
SCHEMBL10837819 0.85 KMT2A (0.64) ALDH1A1KMT2ANPC1RAB9AMMP1
SCHEMBL18770196 0.84 KMT2A (0.59) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL11441022 0.84 CYP1A2 (0.59) ALDH1A1KMT2ACYP19A1NPC1RAB9A
SCHEMBL7946395 0.83 KMT2A (0.61) KMT2AHTTMMP1MMP9MMP13
SCHEMBL24526461 0.81 KMT2A (0.59) KMT2ANPC1RAB9AMMP1MMP9
SCHEMBL18770203 0.79 KMT2A (0.47) ALDH1A1KMT2ACYP19A1PGREGFR
SCHEMBL18770202 0.78 BMP1 (0.46) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL120702 0.78 ALDH1A1 (1.00) ALDH1A1POLBCYP19A1HTTPKM
SCHEMBL6535542 0.78 CYP19A1 (0.58) ALDH1A1KMT2ACYP19A1NPC1RAB9A

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 12 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
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 WO disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 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 1841/4885POLB 1762/4885KMT2A 860/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885POLB 1762/4885KMT2A 860/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885POLB 1762/4885KMT2A 860/4885

“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.