Sugi Predict

Sugi Predict / Compounds / SCHEMBL5152840

SCHEMBL5152840

SCHEMBL5152840

O=C(O)C1CCc2cc(Br)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 6/20 0.44
▸ CYP4A11 Q02928 6/20 0.44
▸ GLS O94925 2/20 0.44
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SRD5A1 P18405 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL6282275 1.00 CYP4F2 (0.44) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL22798882 0.91 GLS (0.42) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL20876956 0.86 CYP4F2 (0.46) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL31404141 0.84 GLS (0.54) GLSSRD5A1SRD5A2
SCHEMBL4151890 0.84 GLS (0.54) GLSSRD5A1SRD5A2
SCHEMBL4193774 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL7290410 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL15880867 0.82 CYP4F2 (0.52) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL20294408 0.82 CYP4F2 (0.43) CYP4F2CYP4A11GLSNFKB1NFKB2
SCHEMBL19510567 0.82 CYP4F2 (0.42) CYP4F2CYP4A11PPARGPPARANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 — — EP claimed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 — — WO claimed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 — — WO claimed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 — — US disclosed
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2022-09-06 — — US disclosed
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 — — EP disclosed
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 — — EP disclosed
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 — — US disclosed
WO-2020162612-A1 PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL 大正製薬株式会社 2020-08-13 — — WO disclosed
CN-111201021-A Chroman monocyclic β -lactams for use in the treatment of bacterial infections 默沙东公司 2020-05-26 — — CN disclosed
EP-3566749-A1 THIAZOLE DERIVATIVE AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2019-11-13 — — EP disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 — — US disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 — — WO disclosed
US-9266892-B2 Fused pyrazoles as FGFR inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-23 — — US disclosed
EP-2828247-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-28 — — EP disclosed
US-20140171405-A1 Fused Pyrazoles as FGFR Inhibitors INCYTE CORPORATION (US) 2014-06-19 — — US disclosed
WO-2013142236-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-26 — — WO disclosed
EP-0145067-B1 DERIVATIVES OF 2,2'-IMINOBISETHANOL JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 — — EP disclosed
US-4654362-A CARDIOVASCULAR DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-03-31 — — US disclosed
EP-0145067-A2 Derivatives of 2,2'-iminobisethanol JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 — — EP 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-20140171405-A1 Fused Pyrazoles as FGFR Inhibitors FGFR1, FGFR3, FGFR2 CYP4F2 112/4885CYP4A11 1089/4885GLS 425/4885
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, CMBL CYP4F2 2301/4885CYP4A11 702/4885GLS 3428/4885
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, CMBL CYP4F2 2067/4885CYP4A11 605/4885GLS 3276/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP4F2 1471/4885CYP4A11 1377/4885GLS 1073/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP4F2 1471/4885CYP4A11 1377/4885GLS 1073/4885

“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.