SCHEMBL20002451

SCHEMBL20002451

CC(C)(C1CCN(C(=O)CC2CC2)CC1)C(O)c1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ FNTA P49354 7/20 0.33
▸ FNTB P49356 7/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ BTK Q06187 2/20 0.33
▸ CALCRL Q16602 1/20 0.32

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
SCHEMBL21402066 0.94 TLR9 (0.38) IDO1TDO2FNTAFNTBBTK
SCHEMBL20002003 0.93 IDO1 (0.34) IDO1TDO2FNTAFNTBMETTL3
SCHEMBL21402085 0.93 MAPK11 (0.36) IDO1TDO2BTK
SCHEMBL21402087 0.93 MAPK11 (0.36) IDO1TDO2BTK
SCHEMBL21407497 0.93 MAPK11 (0.36) IDO1TDO2BTK
SCHEMBL20042345 0.91 EPHX2 (0.38) IDO1TDO2BTK
SCHEMBL21402090 0.90 IDO1 (0.36) IDO1TDO2
SCHEMBL21402088 0.88 JAK3 (0.39) IDO1TDO2FNTAFNTB
SCHEMBL21402065 0.88 MAPK11 (0.41) IDO1TDO2
SCHEMBL21402068 0.88 CNR1 (0.42) IDO1TDO2BTK

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 IDO1 1/4885TDO2 2/4885FNTA 1535/4885

“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.

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