SCHEMBL20002513

SCHEMBL20002513

OC(c1ccccc1C(F)(F)F)c1cccc2cncn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
CYP11B2 P19099 1/20 0.35
TBXAS1 P24557 8/20 0.35
IDO1 P14902 6/20 0.35
TDO2 P48775 5/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGIS Q16647 1/20 0.34
CNR2 P34972 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL20002512 0.82 IDO1 (0.50) CYP11B2TBXAS1IDO1TDO2PTGS1
SCHEMBL20001790 0.80 IDO1 (0.50) CYP11B2TBXAS1IDO1TDO2PTGS1
SCHEMBL18137634 0.77 IDO1 (0.48) CYP11B2TBXAS1IDO1TDO2PTGS1
SCHEMBL8745905 0.77 RBP4 (0.40) ACP3IDO1CNR2OPRM1OPRD1
SCHEMBL20001809 0.75 IDO1 (0.55) ACP3IDO1TDO2OPRM1OPRD1
SCHEMBL20001933 0.72 TOP2A (0.37) TBXAS1IDO1TDO2
SCHEMBL9776265 0.71 ACP3 (0.50) ACP3IDO1TDO2CNR2OPRM1
SCHEMBL30903830 0.71 ACP3 (0.50) ACP3IDO1TDO2CNR2OPRM1
SCHEMBL14904829 0.70 TBXAS1 (0.47) CYP11B2TBXAS1IDO1TDO2PTGS1
SCHEMBL18137404 0.70 TBXAS1 (0.47) CYP11B2TBXAS1IDO1TDO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 ACP3 3833/4885CYP11B2 41/4885TBXAS1 840/4885

“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.