SCHEMBL3904183

SCHEMBL3904183

O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.66
PTPN22 Q9Y2R2 1/20 0.66
MAP3K5 Q99683 1/20 0.65
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
STAT3 P40763 1/20 0.60
DUSP22 Q9NRW4 4/20 0.57
LCK P06239 1/20 0.56
CFTR P13569 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NLRP3 Q96P20 1/20 0.55
ENPP2 Q13822 1/20 0.54
APEX1 P27695 1/20 0.54
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL3904180 1.00 PTPN12 (0.66) PTPN12PTPN22MAP3K5KEAP1NFE2L2
SCHEMBL29554158 0.92 LCK (0.68) PTPN12PTPN22MAP3K5DUSP22LCK
SCHEMBL3896603 0.92 LCK (0.68) PTPN12PTPN22MAP3K5DUSP22LCK
SCHEMBL3896597 0.92 LCK (0.68) PTPN12PTPN22MAP3K5DUSP22LCK
SCHEMBL3896586 0.90 PTPN12 (0.67) PTPN12PTPN22MAP3K5STAT3DUSP22
SCHEMBL3896590 0.90 PTPN12 (0.67) PTPN12PTPN22MAP3K5STAT3DUSP22
SCHEMBL46216 0.89 PTPN12 (0.77) PTPN12PTPN22MAP3K5STAT3DUSP22
SCHEMBL6742617 0.89 PTPN12 (0.77) PTPN12PTPN22MAP3K5STAT3DUSP22
SCHEMBL29901264 0.87 MEN1 (0.65) PTPN12PTPN22MAP3K5LCKMEN1
SCHEMBL6784553 0.86 PTPN12 (0.69) PTPN12PTPN22MAP3K5STAT3DUSP22

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 PTPN12 3967/4885PTPN22 3961/4885MAP3K5 1092/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 PTPN12 3188/4885PTPN22 3667/4885MAP3K5 1460/4885

“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.