SCHEMBL3289753

SCHEMBL3289753

O=c1[nH]c(=S)[nH]cc1C=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM3B Q7LBC6 1/20 0.47
DPYD Q12882 2/20 0.41
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
UBE2N P61088 1/20 0.35
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
GFER P55789 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
BRPF1 P55201 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LPO P22079 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL21345242 0.83 KDM3B (0.47) KDM3BDPYDKMT2ATDP1MEN1
SCHEMBL1916591 0.80 DPYD (0.63) DPYDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL28393916 0.72 KDM3B (0.39) KDM3BDPYDKMT2ATDP1MEN1
SCHEMBL10509279 0.68
SCHEMBL3321070 0.68
SCHEMBL25418259 0.68 ATAD2 (0.60) KDM3BKMT2ATDP1MEN1RXFP1
SCHEMBL1404492 0.68
SCHEMBL11739894 0.68
SCHEMBL25450 0.68
SCHEMBL5559308 0.66 ATAD2 (0.53) KDM3BDPYDKMT2ATDP1UBE2N

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-7727976-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2010-06-01 US disclosed
US-7053076-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2006-05-30 US disclosed
US-20060030551-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. 2006-02-09 US disclosed
US-20030130246-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. 2003-07-10 US disclosed
WO-2003020214-A2 BILE-ACID DERIVED COMPOUNDS FOR ENHANCING ORAL ABSORPTION AND SYSTEMIC BIOAVAILABILITY OF DRUGS XENOPORT, INC. (US) 2003-03-13 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 (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-20030130246-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs SLC10A2, ABCB11, SLC10A1 KDM3B 4748/4885DPYD 1209/4885KMT2A 4785/4885
US-20060030551-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs SLC10A2, ABCB11, SLC10A1 KDM3B 4748/4885DPYD 1209/4885KMT2A 4785/4885

“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.