SCHEMBL31701006

SCHEMBL31701006

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)ccc4o3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 19/20 1.00
▸ PTPN1 P18031 19/20 1.00
▸ PTPN5 P54829 19/20 1.00
▸ HSPD1 P10809 13/20 1.00
▸ HSPE1 P61604 13/20 1.00
▸ KDM4E B2RXH2 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ MAPT P10636 3/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ HPGD P15428 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ ALOX12 P18054 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ XBP1 P17861 1/20 0.71
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67

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
SCHEMBL31701769 0.89 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL30684942 0.89 PTPN1 (0.80) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31701753 0.85 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31700543 0.85 PTPN5 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31700851 0.85 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31701742 0.85 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31700557 0.85 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31700611 0.85 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31701131 0.84 PTPN1 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1
SCHEMBL31701017 0.82 PTPN2 (1.00) PTPN2PTPN1PTPN5HSPD1HSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250319056-A1 METHODS FOR TREATING CANCER UNIV INDIANA TRUSTEES (US) 2025-10-16 — — 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-20250319056-A1 METHODS FOR TREATING CANCER HSP90AB1, HSP90B1, HSP90AB2P PTPN2 2771/4885PTPN1 3070/4885PTPN5 2831/4885

“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.

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