SCHEMBL4158920

SCHEMBL4158920

CC1(C)OB(c2ccccc2CC(=O)O)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.46
CXCR2 P25025 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P4HB P07237 1/20 0.40
ROCK1 Q13464 1/20 0.38
PTGS2 P35354 1/20 0.38
BCAT2 O15382 1/20 0.37
CXCL8 P10145 4/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2988520 0.86 LIPG (0.40) AKR1B1CXCR2LIPGLPLTDP1
SCHEMBL29179974 0.86 CXCR2 (0.40) CXCR2LIPGLPLP4HBROCK1
SCHEMBL17389030 0.85 LIPG (0.39) AKR1B1CXCR2LIPGLPLTDP1
SCHEMBL902458 0.84 LIPG (0.49) CXCR2LIPGLPLTDP1P4HB
SCHEMBL3319492 0.83 CXCR2 (0.41) CXCR2LIPGLPLP4HBROCK1
SCHEMBL29973532 0.83 KDM4E (0.42) CXCR2LIPGLPLP4HBROCK1
SCHEMBL14656987 0.83 KDM4E (0.42) CXCR2LIPGLPLP4HBROCK1
SCHEMBL13202078 0.81 LPL (0.43) CXCR2LIPGLPLP4HBROCK1
SCHEMBL11105 0.81 PKM (0.44) CXCR2
SCHEMBL29107963 0.81 CYSLTR2 (0.44) CXCR2LIPGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 EP disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 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 (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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 AKR1B1 350/4885CXCR2 770/4885LIPG 1473/4885

“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.