SCHEMBL3908245

SCHEMBL3908245

COc1ccc(N2C(=O)C(=Cc3ccc(Br)o3)SC2=S)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.60
NLRP3 Q96P20 1/20 0.58
P4HB P07237 1/20 0.55
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 9/20 0.54
POLB P06746 7/20 0.54
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 4/20 0.54
RECQL P46063 4/20 0.54
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.54
APEX1 P27695 1/20 0.54
RAB9A P51151 3/20 0.50
ALOX12 P18054 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL3908244 1.00 HSD17B3 (0.60) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL13855093 0.88 HSD17B3 (0.58) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL3905762 0.85 MAP3K5 (0.67) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL3905766 0.85 MAP3K5 (0.67) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL3907485 0.84 MEN1 (0.67) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3907489 0.84 MEN1 (0.67) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3904812 0.81 MEN1 (0.77) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL3904810 0.81 MEN1 (0.77) HSD17B3NLRP3P4HBMEN1KMT2A
SCHEMBL6791455 0.79 PTPN12 (0.73) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8289212 0.79 MAP3K5 (0.61) HSD17B3NLRP3P4HBMEN1KMT2A

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 HSD17B3 3437/4885NLRP3 3708/4885P4HB 4086/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 HSD17B3 3742/4885NLRP3 3171/4885P4HB 3378/4885

“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.