SCHEMBL4841623

SCHEMBL4841623

O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])c(O)c4)cc3)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
GPR35 Q9HC97 1/20 0.49
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL4847049 0.90 GPR35 (0.58) GPR35HTTL3MBTL1TDP1PKM
SCHEMBL11775433 0.85 PTPN1 (0.54) PTPN1HTTL3MBTL1TDP1GAA
SCHEMBL7583285 0.84 GPR35 (0.51) GPR35TDP1ALDH1A1SOS1KDM4E
SCHEMBL4839671 0.83 GPR35 (0.55) GPR35HTTL3MBTL1TDP1GAA
SCHEMBL5955410 0.83 LTA4H (0.52) GPR35HTTL3MBTL1TDP1GAA
SCHEMBL4840927 0.82 GPR35 (0.53) GPR35HTTL3MBTL1TDP1PKM
SCHEMBL6186809 0.81 GPR35 (0.49) GPR35HTTL3MBTL1TDP1PKM
SCHEMBL4847624 0.81 GPR35 (0.51) GPR35HTTL3MBTL1TDP1GAA
SCHEMBL11271221 0.79 TTR (0.50) GPR35TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4843320 0.78 GPR35 (0.51) GPR35HTTL3MBTL1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 PTPN1 2832/4885GPR35 2929/4885CA12 340/4885

“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.