SCHEMBL8337268

SCHEMBL8337268

CCOC(=O)CSC(=S)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.58
MAPT P10636 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
IDO1 P14902 1/20 0.53
NAMPT P43490 1/20 0.52
PKM P14618 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL11491354 0.84 PPID (0.53) PPIDMAPTKMT2AMEN1ALDH1A1
SCHEMBL28679711 0.77 IDO1 (0.68) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL2087667 0.76 PPID (0.68) PPIDMAPTKMT2AMEN1ALDH1A1
SCHEMBL29128845 0.75 PAM (0.62) PPIDMAPTKMT2AMEN1ALDH1A1
SCHEMBL4231270 0.75 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL556967 0.74 ALDH1A1 (0.54) MAPTKMT2AALDH1A1HDAC3HDAC4
SCHEMBL6907319 0.74 IDO1 (0.51) KMT2AMEN1ALDH1A1HPGDIDO1
SCHEMBL11489721 0.74 MAPK1 (0.46) PPIDMAPTKMT2AMEN1ALDH1A1
SCHEMBL11490336 0.74 MAPK1 (0.52) PPIDMAPTKMT2AMEN1ALDH1A1
Benzene SCHEMBL8878788 0.74 PPID (0.64) PPIDMAPTKMT2AMEN1ALDH1A1

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-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
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 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 (1 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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 PPID 3386/4885MAPT 880/4885KMT2A 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.