SCHEMBL2389323

SCHEMBL2389323

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
DGAT1 O75907 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALPL P05186 1/20 0.35
FFAR1 O14842 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
CDK1 P06493 1/20 0.33
CFTR P13569 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
TRPA1 O75762 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
SCHEMBL16046359 0.86 AAK1 (0.44) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL1690283 0.84 AAK1 (0.51) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL2409875 0.83 AAK1 (0.47) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL6934738 0.82 AAK1 (0.50) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL19399966 0.81 AAK1 (0.39) AAK1DGAT1GSK3AGSK3BFFAR1
SCHEMBL2068433 0.80 GSK3A (0.38) AAK1DGAT1GSK3AGSK3BFFAR1
SCHEMBL30864874 0.79 AAK1 (0.45) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL27314904 0.79 AAK1 (0.45) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL462679 0.79 AAK1 (0.47) AAK1DGAT1GSK3AGSK3BALPL
SCHEMBL17609622 0.79 AAK1 (0.39) AAK1DGAT1GSK3AGSK3BALPL

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 11 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 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
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 AAK1 2751/4885DGAT1 3233/4885GSK3A 2709/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 AAK1 2456/4885DGAT1 786/4885GSK3A 1179/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 AAK1 2456/4885DGAT1 786/4885GSK3A 1179/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 AAK1 2442/4885DGAT1 1718/4885GSK3A 493/4885

“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.