SCHEMBL9105587

SCHEMBL9105587

CCc1cc(CC)c2c(c1)N(CCCS(=O)(=O)O)c1c(CC)cccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
POLB P06746 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MMP13 P45452 4/20 0.40
CTDSP1 Q9GZU7 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 6/20 0.37
TDP1 Q9NUW8 5/20 0.37
ALOX15 P16050 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX12 P18054 3/20 0.37
CASP1 P29466 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP7 P55210 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RAD52 P43351 3/20 0.35

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
SCHEMBL9104022 0.88 MAPT (0.45) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9102679 0.87 MAPT (0.40) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9101557 0.87 MAPT (0.50) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9102326 0.87 MAPT (0.38) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9102582 0.86 MAPT (0.43) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9100163 0.86 MAPT (0.38) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9100529 0.82 MEN1 (0.53) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9104784 0.81 MAPT (0.43) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9105536 0.81 MAPT (0.50) MAPTPOLBMEN1KMT2AMMP13
SCHEMBL9102136 0.80 MAPT (0.42) MAPTPOLBMEN1KMT2AMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US disclosed
US-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP 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-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 MAPT 2626/4885POLB 4421/4885MEN1 3837/4885

“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.