SCHEMBL20002260

SCHEMBL20002260

CS(=O)(=O)N1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.34
IDO1 P14902 1/20 0.32
ACLY P53396 1/20 0.32
ACACB O00763 1/20 0.31
NAMPT P43490 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
NOS1 P29475 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP11B2 P19099 1/20 0.30
CD38 P28907 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20042247 0.91 ACACB (0.33) TDO2ACACB
SCHEMBL20002263 0.88 CYP11B2 (0.39) TDO2IDO1ACACBSMN1; SMN2CYP11B2
SCHEMBL29092668 0.86 PSEN1 (0.37) TDO2NAMPTPSEN1PSEN2APH1B
SCHEMBL22584288 0.86 PSEN1 (0.37) TDO2NAMPTPSEN1PSEN2APH1B
SCHEMBL20939257 0.86 PSEN1 (0.37) TDO2NAMPTPSEN1PSEN2APH1B
SCHEMBL29092670 0.86 PSEN1 (0.37) TDO2NAMPTPSEN1PSEN2APH1B
SCHEMBL22584292 0.86 PSEN1 (0.37) TDO2NAMPTPSEN1PSEN2APH1B
SCHEMBL20002542 0.84 ALDH1A1 (0.37) TDO2IDO1ACACBSMN1; SMN2MEN1
SCHEMBL20001954 0.79 TDO2 (0.35) TDO2IDO1
SCHEMBL20001781 0.78 TDO2 (0.36) TDO2PSEN1PSEN2APH1BNCSTN

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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
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 (3 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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 TDO2 2/4885IDO1 1/4885ACLY 2645/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TDO2 2/4885IDO1 1/4885ACLY 2392/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TDO2 2/4885IDO1 1/4885ACLY 2645/4885

“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.