SCHEMBL20002391

SCHEMBL20002391

COC12CCC(C(O)c3cc(Cl)cc4[nH]ncc34)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.36
▸ IDO1 P14902 7/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL20042267 0.81 IDO1 (0.40) METAP2IDO1TDO2
SCHEMBL20001901 0.81 TDO2 (0.33) TDO2
SCHEMBL20001903 0.77 METAP2 (0.38) METAP2IDO1TDO2
SCHEMBL17739557 0.73 METAP2 (0.46) METAP2IDO1TDO2
SCHEMBL17738663 0.71 METAP2 (0.44) METAP2IDO1TDO2
SCHEMBL17738305 0.71 METAP2 (0.44) METAP2IDO1TDO2
SCHEMBL16675976 0.70 METAP2 (0.49) METAP2IDO1TDO2
SCHEMBL17739208 0.68 IDO1 (0.47) METAP2IDO1TDO2
SCHEMBL17738420 0.67 IDO1 (0.47) METAP2IDO1TDO2
SCHEMBL30604481 0.67 IDO1 (0.47) METAP2IDO1TDO2

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 6 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
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 — — WO 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 METAP2 568/4885IDO1 1/4885TDO2 2/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 METAP2 786/4885IDO1 1/4885TDO2 2/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 METAP2 568/4885IDO1 1/4885TDO2 2/4885

“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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