SCHEMBL4538570

SCHEMBL4538570

CCCCCc1ccsc1C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
LTB4R Q15722 5/20 0.39
LIPG Q9Y5X9 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TYR P14679 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL979606 0.83 LIPG (0.40) GPR35LIPGCYSLTR2CYSLTR1MAPT
SCHEMBL586816 0.83 LIPG (0.40) GPR35LIPGCYSLTR2CYSLTR1MAPT
SCHEMBL30544 0.83 GPR35 (0.55) GPR35LTB4RCYSLTR2CYSLTR1ALDH1A1
SCHEMBL28502292 0.82 LIPG (0.39) GPR35LTB4RLIPGCYSLTR2CYSLTR1
SCHEMBL28905105 0.82 LIPG (0.39) GPR35LTB4RLIPGCYSLTR2CYSLTR1
SCHEMBL28510615 0.82 LIPG (0.39) GPR35LTB4RLIPGCYSLTR2CYSLTR1
SCHEMBL28497574 0.82 LIPG (0.39) GPR35LTB4RLIPGCYSLTR2CYSLTR1
SCHEMBL17353545 0.81 GPR35 (0.57) GPR35LTB4RCYSLTR2CYSLTR1BID
SCHEMBL4436638 0.81 GPR35 (0.57) GPR35LTB4RCYSLTR2CYSLTR1BID
SCHEMBL8516407 0.81 GPR35 (0.57) GPR35LTB4RCYSLTR2CYSLTR1BID

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098047-A1 BIOCONJUGATES OF METAL COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS INOTEK PHARMACEUTICALS (NZ) 2009-04-16 US claimed
US-20040131550-A1 Bioconjugates of metal complexes of nitrogen-containing macrocyclic ligands METAPHORE PHARMACEUTICALS, INC. 2004-07-08 US claimed

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-20040131550-A1 Bioconjugates of metal complexes of nitrogen-containing macrocyclic ligands RXFP3, RXFP1, RCN1 GPR35 2209/4885LTB4R 1671/4885LIPG 4429/4885
US-20090098047-A1 BIOCONJUGATES OF METAL COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS RXFP3, RXFP1, C3AR1 GPR35 2525/4885LTB4R 1469/4885LIPG 4595/4885

“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.