SCHEMBL3897920

SCHEMBL3897920

O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 2/20 0.71
INSR P06213 1/20 0.59
IGF1R P08069 1/20 0.59
PTPN12 Q05209 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58
MAPT P10636 5/20 0.57
MAPK1 P28482 3/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CDK2 P24941 1/20 0.57
BRAF P15056 1/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 4/20 0.54
MEN1 O00255 3/20 0.54

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
SCHEMBL6279044 1.00 HTRA2 (0.71) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3897914 1.00 HTRA2 (0.71) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3892423 0.92 HTRA2 (0.61) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3892418 0.92 HTRA2 (0.61) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL7168872 0.92 PTPN12 (0.72) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL6784929 0.92 PTPN12 (0.72) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL8175997 0.90 MAP3K5 (0.66) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3900015 0.87 HTRA2 (0.55) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3900012 0.87 HTRA2 (0.55) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3896729 0.86 MAPT (0.60) HTRA2INSRIGF1RPTPN12PTPN22

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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 HTRA2 3524/4885INSR 2538/4885IGF1R 1698/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 HTRA2 4501/4885INSR 4203/4885IGF1R 3619/4885

“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.