SCHEMBL3135207

SCHEMBL3135207

CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.68
INSR P06213 1/20 0.58
IGF1R P08069 1/20 0.58
STAT3 P40763 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
CDK2 P24941 1/20 0.56
HTRA2 O43464 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAP3K5 Q99683 6/20 0.55
ENPP2 Q13822 1/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
ALOX12 P18054 1/20 0.54
BRAF P15056 1/20 0.53

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
SCHEMBL3135211 1.00 TNFRSF1A (0.68) TNFRSF1AINSRIGF1RSTAT3ALDH1A1
SCHEMBL3135217 1.00 TNFRSF1A (0.68) TNFRSF1AINSRIGF1RSTAT3ALDH1A1
SCHEMBL3897021 0.88 MEN1 (0.64) TNFRSF1AINSRIGF1RALDH1A1MAPT
SCHEMBL3895328 0.88 ENPP2 (0.70) TNFRSF1AINSRIGF1RALDH1A1MAPT
SCHEMBL3897019 0.88 MEN1 (0.64) TNFRSF1AINSRIGF1RALDH1A1MAPT
SCHEMBL3895334 0.88 ENPP2 (0.70) TNFRSF1AINSRIGF1RALDH1A1MAPT
SCHEMBL3894395 0.87 MAP3K5 (0.73) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL3894399 0.87 MAP3K5 (0.73) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL16491204 0.87 MAPT (0.65) TNFRSF1AINSRIGF1RALDH1A1MAPT
SCHEMBL3894593 0.87 MAPT (0.65) TNFRSF1AINSRIGF1RALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 US claimed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 WO claimed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 US disclosed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 WO disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
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-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
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 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 (3 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-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses MAVS, LAMP1, HAVCR2 TNFRSF1A 2355/4885INSR 3037/4885IGF1R 3107/4885
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 TNFRSF1A 4140/4885INSR 2538/4885IGF1R 1698/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 TNFRSF1A 3194/4885INSR 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.