SCHEMBL17737372

SCHEMBL17737372

COc1ccc([C@H]2CC[C@H](CC(=O)Nc3ccc(C4CC4)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.73
IDO1 P14902 1/20 0.61
NAMPT P43490 2/20 0.56
GPR183 P32249 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.50
DGAT1 O75907 1/20 0.50
KMT2A Q03164 1/20 0.50
KLK7 P49862 1/20 0.50
HTT P42858 1/20 0.50
MAP2K1 Q02750 1/20 0.49
FUCA1 P04066 1/20 0.49

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
SCHEMBL20838672 1.00 EPHX2 (0.73) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17737051 1.00 EPHX2 (0.73) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17730049 0.94 IDO1 (0.72) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL20838628 0.94 EPHX2 (0.65) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17729993 0.94 IDO1 (0.72) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17737052 0.94 EPHX2 (0.65) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17737285 0.94 EPHX2 (0.65) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17729994 0.94 IDO1 (0.72) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17318325 0.94 IDO1 (0.71) EPHX2IDO1NAMPTGPR183L3MBTL1
SCHEMBL17730903 0.94 IDO1 (0.71) EPHX2IDO1NAMPTGPR183L3MBTL1

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-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
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 (2 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 1/4885NAMPT 457/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT EPHX2 611/4885IDO1 1/4885NAMPT 457/4885

“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.