SCHEMBL9315410

SCHEMBL9315410

CCOC(=O)C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
FFAR1 O14842 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
PDE2A O00408 1/20 0.42

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
SCHEMBL28147664 0.85 NPSR1 (0.49) POLBNPSR1PPARGEPHX2CES2
SCHEMBL1043699 0.85 NPSR1 (0.49) POLBNPSR1PPARGEPHX2CES2
SCHEMBL12267961 0.85 NR1H4 (0.47) AKR1C3AKR1C2MAPT
SCHEMBL2484700 0.83 CES2 (0.56) POLBNPSR1PPARGEPHX2CES2
SCHEMBL6675458 0.83 CES2 (0.56) POLBNPSR1PPARGEPHX2CES2
SCHEMBL8078579 0.83 HPGD (0.50) CYP3A4AKR1C3AKR1C2CES2CES1
SCHEMBL9314775 0.82 POLB (0.39) POLBNPSR1PPARGEPHX2MAPT
SCHEMBL9315502 0.82 POLB (0.39) POLBNPSR1PPARGEPHX2MAPT
SCHEMBL5348695 0.82 NPSR1 (0.47) POLBNPSR1PPARGEPHX2CES2
SCHEMBL26697470 0.82 PPARG (0.48) POLBNPSR1PPARGEPHX2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
US-10155770-B2 Substituted pyrazolopyrimidines and method of use ABBVIE INC. (US) 2018-12-18 US disclosed
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-19 US disclosed
EP-3286192-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co KG (DE) 2018-02-28 EP disclosed
US-9828381-B2 Substituted pyrazolopyrimidines and method of use AbbVie Deutschland GmbH & Co. KG (DE) 2017-11-28 US disclosed
WO-2016169995-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-27 WO disclosed
US-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-20 US disclosed
US-5302752-A Acetic acid derivatives and their production ETHYL CORPORATION (US) 1994-04-12 US disclosed
EP-0426333-A2 Acetic acid derivatives and their production ETHYL CORPORATION (US) 1991-05-08 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 (3 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-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 POLB 1863/4885NPSR1 207/4885PPARG 139/4885
US-10155770-B2 Substituted pyrazolopyrimidines and method of use GABBR1, GABBR2, GABRB1 POLB 1863/4885NPSR1 207/4885PPARG 139/4885
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 POLB 1863/4885NPSR1 207/4885PPARG 139/4885

“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.