SCHEMBL7207368

SCHEMBL7207368

O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CYP19A1 P11511 2/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
IDO1 P14902 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 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
SCHEMBL4181150 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29791528 0.85 CYP19A1 (0.65) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5034929 0.81 CYP19A1 (0.74) CYP19A1PKMALDH1A1CYP1A2CYP3A4
SCHEMBL4315537 0.79 IDO1 (0.60) CYP19A1PKMALDH1A1CYP2C19SMN1; SMN2
SCHEMBL15677250 0.78 LMNA (0.53) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15657199 0.78 LMNA (0.53) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4334647 0.77 VCAM1 (0.74) PKMMAPK1CYP2C19SMN1; SMN2IDO1
SCHEMBL15660246 0.76 ALDH1A1 (0.62) POLBCYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL15660010 0.75 MAPT (0.54) POLBCYP19A1TSHRALDH1A1MAPK1
SCHEMBL15657633 0.75 LMNA (0.53) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653331-B2 Depleting intracellular reduced glutathione levels in vivo PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
EP-0909184-B1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES UPJOHN CO (US) 2003-09-17 EP disclosed
US-20030109555-A1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJ0HN COMPANY 2003-06-12 US disclosed
EP-0909184-A2 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1999-04-21 EP disclosed
WO-1998000173-A2 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1998-01-08 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 (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-20030109555-A1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES GSTP1, GSTA2, GSTA1 POLB 3460/4885CYP19A1 1235/4885PKM 1661/4885

“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.