SCHEMBL9366709

SCHEMBL9366709

CCOC(=O)C(C(=O)OCC)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
MMP8 P22894 1/20 0.40
RORC P51449 1/20 0.39
HPGD P15428 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
SCHEMBL10850031 0.90 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL5747385 0.87 MMP8 (0.43) MAPTPOLBRAB9ACYP1A2MEN1
SCHEMBL13228115 0.86 MAPT (0.41) MAPTPOLBRAB9ACES2CES1
SCHEMBL8229151 0.85 CES2 (0.55) MAPTPOLBRAB9ACES2CES1
SCHEMBL7942217 0.84 MAPT (0.45) MAPTPOLBRAB9ACES2CES1
SCHEMBL25117945 0.84 CYP3A4 (0.42) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL17168993 0.84 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL19183203 0.84 MAPT (0.44) MAPTPOLBRAB9ACES2CES1
SCHEMBL5593462 0.84 NR3C2 (0.47) TSHR
SCHEMBL31198063 0.83 MAPT (0.43) MAPTPOLBRAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 WO disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 WO disclosed
CN-116063326-A Amino-containing macrocyclic compounds as protein kinase modulators 赛诺哈勃药业(成都)有限公司 2023-05-05 CN disclosed
US-9546138-B2 Pyridone derivatives and uses thereof in the treatment of tuberculosis NOVARTIS AG (CH) 2017-01-17 US disclosed
EP-2931716-B1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2016-11-02 EP disclosed
US-20150291526-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014093606-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2014-06-19 WO disclosed
EP-0318214-B1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORP (US) 1994-12-14 EP disclosed
US-5039676-A Fungicide, antiallergens SCHERING CORPORATION (US) 1991-08-13 US disclosed
EP-0386143-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1990-09-12 EP disclosed
WO-1989004829-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1989-06-01 WO disclosed
EP-0318214-A1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORPORATION (US) 1989-05-31 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 (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-20150291526-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS COASY, PLPBP, ACSS2 MAPT 2624/4885POLB 2995/4885RAB9A 1642/4885

“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.