SCHEMBL22683407

SCHEMBL22683407

CC(C)(O)COc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
VDR P11473 2/20 0.31
NQO1 P15559 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMB5 P28074 1/20 0.30
PSMB2 P49721 1/20 0.30
UGCG Q16739 1/20 0.30
RET P07949 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5949918 0.84 NQO1 (0.43) BRD4CCL2SMN1; SMN2PDE2APDE10A
SCHEMBL292906 0.83 XDH (0.36) SMN1; SMN2NQO1CYP3A4
SCHEMBL23202421 0.80 NUDT1 (0.38) SMN1; SMN2CYP3A4
SCHEMBL15153475 0.80 HRH3 (0.40) SMN1; SMN2VDRHRH3PSMB1PSMB5
SCHEMBL17134252 0.79 ACACB (0.32) NQO1
SCHEMBL97005 0.78 LMNA (0.47) SMN1; SMN2
Water SCHEMBL27439859 0.78 BRD4 (0.38) BRD4CCL2SMN1; SMN2PDE2APDE10A
SCHEMBL17103300 0.78 NQO1 (0.30) NQO1
SCHEMBL12527284 0.77 WDR5 (0.47) BRD4CCL2
SCHEMBL27037700 0.77 LTA4H (0.50) HDAC6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 BRD4 1724/4885CCL2 3177/4885SMN1; SMN2 4688/4885

“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.