SCHEMBL2749062

SCHEMBL2749062

FC(F)(F)c1ccc2c(c1)[C]c1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.53
NOX3 Q9HBY0 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
PTPN5 P54829 1/20 0.42
TP53 P04637 5/20 0.40
MAPK1 P28482 5/20 0.40
CYP1A2 P05177 3/20 0.40
ABCB1 P08183 3/20 0.40
HTR1A P08908 3/20 0.40
ADRA2A P08913 3/20 0.40
ADORA3 P0DMS8 3/20 0.40
CYP2D6 P10635 3/20 0.40
CHRM1 P11229 3/20 0.40
DRD1 P21728 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
ADRA1A P35348 3/20 0.40
DRD3 P35462 3/20 0.40
THPO P40225 3/20 0.40

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
SCHEMBL28924686 0.79 CYBB (0.65) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL229977 0.77 BCHE (0.42) NOX1MAPK1CYP1A2ADORA3SLC6A2
SCHEMBL2748529 0.73 BCHE (0.53) NOX1TP53MAPK1CYP1A2ABCB1
SCHEMBL9511171 0.72 PTPN5 (0.58) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL9507729 0.72 PTPN5 (0.58) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL2749063 0.72 CYBB (0.53) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL30207808 0.72 CYBB (0.53) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL11753992 0.70 CYBB (0.54) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL28799669 0.70 CYBB (0.50) CYBBNOX3NOX4NOX1PTPN5
SCHEMBL560225 0.69 NOX1 (1.00) CYBBNOX3NOX4NOX1MAPK1

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-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 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 (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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 CYBB 4339/4885NOX3 4670/4885NOX4 4869/4885

“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.