SCHEMBL4470901

SCHEMBL4470901

Nc1cccc2cc(S(=O)(=O)NCc3ccccc3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.62
NSD2 O96028 2/20 0.59
CYP2C9 P11712 1/20 0.54
ATIC P31939 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KEAP1 Q14145 1/20 0.54
LMNA P02545 1/20 0.53
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
PKM P14618 1/20 0.53
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.51
VCAM1 P19320 1/20 0.51
IDO1 P14902 1/20 0.51

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
SCHEMBL4493195 0.85 NSD2 (0.52) CYP19A1NSD2CYP2C9ATICCYP2C19
SCHEMBL4472784 0.84 CYP19A1 (0.62) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL3681880 0.81 CYP19A1 (0.85) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL38660104 0.81 CYP19A1 (0.85) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL5952598 0.80 KEAP1 (0.64) CYP19A1NSD2KEAP1LMNASLC12A2
SCHEMBL4482487 0.79 CYP19A1 (0.67) CYP19A1KEAP1LMNASLC12A2SLC12A5
Hydrochloric Acid SCHEMBL4486932 0.78 CYP19A1 (0.65) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL4483879 0.78 CASP6 (0.64) CYP19A1CYP2C9CYP2C19KEAP1LMNA
SCHEMBL4478227 0.77 CYP19A1 (0.61) CYP19A1CYP2C9CYP2C19CA12CA9
SCHEMBL4482883 0.77 CYP19A1 (0.53) CYP19A1LMNASLC12A2SLC12A5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 552/4885NSD2 639/4885CYP2C9 4706/4885

“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.