SCHEMBL17731111

SCHEMBL17731111

COc1ccc([C@H]2CC[C@@H](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
IDO1 P14902 1/20 0.62
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP3A4 P08684 2/20 0.55
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
DGAT1 O75907 5/20 0.52
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NAMPT P43490 2/20 0.49
GRIN2B Q13224 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL20838710 1.00 EPHX2 (0.62) EPHX2IDO1KMT2AMEN1CYP3A4
SCHEMBL17730903 0.93 IDO1 (0.71) EPHX2IDO1KMT2AMEN1CYP3A4
SCHEMBL17318325 0.93 IDO1 (0.71) EPHX2IDO1KMT2AMEN1CYP3A4
SCHEMBL20838672 0.92 EPHX2 (0.73) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL17737051 0.92 EPHX2 (0.73) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL17737372 0.92 EPHX2 (0.73) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL20838698 0.88 IDO1 (0.78) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL17737261 0.88 IDO1 (0.78) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL17737013 0.88 IDO1 (0.78) EPHX2IDO1KMT2ADGAT1ALDH1A1
SCHEMBL17737285 0.86 EPHX2 (0.65) EPHX2IDO1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US claimed
US-20220274926-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2022-09-01 US claimed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
EP-3215141-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 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 (4 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT EPHX2 611/4885IDO1 1/4885KMT2A 1557/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT EPHX2 611/4885IDO1 1/4885KMT2A 1557/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT EPHX2 611/4885IDO1 1/4885KMT2A 1557/4885
US-20220274926-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT EPHX2 611/4885IDO1 1/4885KMT2A 1557/4885

“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.