SCHEMBL20002569

SCHEMBL20002569

CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDO2 P48775 2/20 0.33
IDO1 P14902 2/20 0.33
ACACB O00763 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 3/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAMPT P43490 1/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL20001833 0.84 SMN1; SMN2 (0.36) ALDH1A1TDO2IDO1NAMPTSMN1; SMN2
SCHEMBL20002521 0.83 TDO2 (0.38) TDO2
SCHEMBL20002410 0.83 TDO2 (0.38) TDO2IDO1
SCHEMBL20001836 0.82 TDO2 (0.34) TDO2
SCHEMBL20042244 0.82 TDO2 (0.37) TDO2IDO1
SCHEMBL20002547 0.80 TDO2 (0.34) TDO2
SCHEMBL20002575 0.80 CYP11B2 (0.42) ALDH1A1TDO2IDO1NAMPTSMN1; SMN2
SCHEMBL20043563 0.79 TDO2 (0.33) TDO2
SCHEMBL20002263 0.78 CYP11B2 (0.39) ALDH1A1TDO2IDO1ACACBCYP3A4
SCHEMBL20002082 0.78 TDO2 (0.36) TDO2

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 ALDH1A1 719/4885TDO2 2/4885IDO1 1/4885

“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.