SCHEMBL4863860

SCHEMBL4863860

Nc1cccc(S(=O)(=O)NOC2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 2/20 0.47
LMNA P02545 2/20 0.46
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
CYP19A1 P11511 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PKM P14618 1/20 0.44
HTR6 P50406 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL18770212 0.82 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2LMNAHTR6
SCHEMBL4867769 0.81 KDM4E (0.44) POLBALDH1A1SMN1; SMN2CA2CA1
SCHEMBL4869134 0.78 CA2 (0.56) ALDH1A1CA2LMNAF2PRSS1
SCHEMBL2854064 0.76 ALDH1A1 (0.59) POLBALDH1A1SMN1; SMN2CA2LMNA
SCHEMBL14074428 0.75 BRD4 (0.38) POLBALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL12325142 0.74 F2 (0.58) POLBALDH1A1SMN1; SMN2CA2LMNA
SCHEMBL4873352 0.74 KMT2A (0.47) POLBALDH1A1SMN1; SMN2LMNACYP19A1
SCHEMBL22916894 0.73 LMNA (0.63) POLBALDH1A1SMN1; SMN2CA2LMNA
SCHEMBL4872482 0.73 MMP1 (0.51) ALDH1A1SMN1; SMN2CA2LMNACA1
SCHEMBL4873295 0.72 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2CA2LMNA

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 9 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-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 POLB 1762/4885ALDH1A1 1841/4885SMN1; SMN2 2199/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP POLB 1762/4885ALDH1A1 1841/4885SMN1; SMN2 2199/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP POLB 1762/4885ALDH1A1 1841/4885SMN1; 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.