SCHEMBL3895721

SCHEMBL3895721

Cc1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 15/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ NLRP3 Q96P20 4/20 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
SCHEMBL3895716 1.00 CFTR (0.63) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL3907881 0.83 MEN1 (0.69) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL3908212 0.83 MEN1 (0.66) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL3908215 0.83 MEN1 (0.66) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL3907874 0.83 MEN1 (0.69) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL6275007 0.83 MEN1 (0.66) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL12123539 0.82 CFTR (0.80) CFTRMEN1KMT2AMAPTNLRP3
SCHEMBL30862543 0.81 CFTR (0.64) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL13326261 0.81 MAP3K5 (0.58) CFTRMEN1KMT2AMAPTNLRP3
SCHEMBL15827152 0.80 CFTR (0.55) CFTRMEN1KMT2ANLRP3

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 5 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
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 CFTR 1162/4885MEN1 1562/4885KMT2A 901/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 CFTR 3780/4885MEN1 2869/4885KMT2A 1020/4885

“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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