SCHEMBL3897122

SCHEMBL3897122

O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ PTPN22 Q9Y2R2 2/20 0.65
▸ APEX1 P27695 1/20 0.64
▸ MAP3K5 Q99683 2/20 0.63
▸ EIF4E P06730 1/20 0.60
▸ EIF4G1 Q04637 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL3897115 1.00 MAPT (0.69) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL5164951 0.90 PTPN22 (0.65) MAPTPTPN22APEX1MAP3K5
SCHEMBL5164957 0.90 PTPN22 (0.65) MAPTPTPN22APEX1MAP3K5
SCHEMBL3894146 0.88 STAT3 (0.60) MAPTPTPN22MAP3K5EIF4EEIF4G1
SCHEMBL3894155 0.88 STAT3 (0.60) MAPTPTPN22MAP3K5EIF4EEIF4G1
SCHEMBL7859580 0.88 MAPT (0.77) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3905933 0.88 MAPT (0.77) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3904248 0.88 MAPT (0.77) MAPTPTPN22APEX1MAP3K5EIF4E
SCHEMBL3896088 0.88 PTPN22 (0.65) MAPTPTPN22APEX1MAP3K5
SCHEMBL5145019 0.88 PTPN22 (0.65) MAPTPTPN22APEX1MAP3K5

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 9 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
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO 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
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 — — EP disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 — — US disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 — — EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 — — US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 — — 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 MAPT 1187/4885PTPN22 3961/4885APEX1 1572/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAPT 880/4885PTPN22 3667/4885APEX1 888/4885
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 MAPT 2096/4885PTPN22 1167/4885APEX1 2696/4885

“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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