Sugi Predict

Sugi Predict / Compounds / SCHEMBL475119

SCHEMBL475119

SCHEMBL475119

O=C(Cl)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.50
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CES1 P23141 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL24959817 0.85 CES2 (0.50) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL475120 0.83 TAS2R14 (0.59) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28849078 0.81 TAS2R14 (0.57) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL151287 0.81 CES2 (0.50) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL31064612 0.81 CES2 (0.50) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL27989097 0.81 CES2 (0.50) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL12932825 0.81 CES2 (0.50) CES2TAS2R14SMN1; SMN2KDM4EALDH1A1
SCHEMBL477732 0.79 JAK2 (0.55) CES2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL283293 0.79 CES2 (0.52) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL937701 0.79 CES2 (0.72) CES2KDM4EALDH1A1HPGDHSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774755-B1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE PHENEX DISCOVERY VERWALTUNGS GMBH (DE) 2022-05-18 — — EP disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 — — US disclosed
EP-3774755-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-02-17 — — EP disclosed
WO-2019185870-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-10-03 — — WO disclosed
CN-107778262-A 1,5 disubstituted tetrazole compounds and its preparation method and application 尹玉新 2018-03-09 — — CN disclosed
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 — — US disclosed
EP-2411370-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-04-22 — — EP disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 — — EP disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 — — US disclosed
CN-103415507-A 3-amino-pyridines as GPBAR1 agonists HOFFMANN LA ROCHE 2013-11-27 — — CN disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 — — WO disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 — — EP disclosed
CN-101820868-A Novel compounds as cannabinoid receptor ligands ABBOTT LAB 2010-09-01 — — CN disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 — — EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 — — WO disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 — — US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 — — 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 (5 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-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 CES2 1408/4885TAS2R14 4258/4885SMN1; SMN2 4094/4885
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CES2 730/4885TAS2R14 686/4885SMN1; SMN2 3098/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CES2 444/4885TAS2R14 807/4885SMN1; SMN2 3278/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CES2 285/4885TAS2R14 1595/4885SMN1; SMN2 2433/4885
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CES2 535/4885TAS2R14 653/4885SMN1; SMN2 3634/4885

“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.