SCHEMBL4480958

SCHEMBL4480958

O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc3c(O)cccc3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.66
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DDX3X O00571 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
VCAM1 P19320 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL4472784 0.84 CYP19A1 (0.62) CYP19A1CYP1A2CYP3A4L3MBTL1VCAM1
SCHEMBL4478227 0.82 CYP19A1 (0.61) CYP19A1CYP1A2CYP3A4CYP2C19CA1
SCHEMBL4490023 0.82 CYP19A1 (0.57) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4494199 0.81 CYP19A1 (0.58) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4661602 0.79 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30075076 0.76 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4349159 0.76 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4476668 0.76 CYP19A1 (0.60) CYP19A1ALDH1A1SMN1; SMN2CA2POLB
SCHEMBL4472758 0.76 HDAC3 (0.54) CYP19A1ALDH1A1CA1CA2POLB
SCHEMBL4489568 0.75 AKR1C3 (0.57) MEN1KMT2AALDH1A1TDP1CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US claimed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US claimed
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US disclosed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 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 (1 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-20050215645-A1 Amide derivatives OGG1, HDAC1, BCL2A1 CYP19A1 552/4885CYP1A2 2887/4885CYP3A4 4348/4885

“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.