SCHEMBL21640260

SCHEMBL21640260

O=C(NCC1COCCO1)C1CN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NAMPT P43490 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21639863 0.81 TSHR (0.35) TSHRKDM4EHPGDPKMCYP2C9
SCHEMBL20745475 0.76 KDM4E (0.32) MAPTKDM4EALDH1A1
SCHEMBL20745995 0.76 KDM4E (0.32) MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL21640257 0.75 MAPT (0.47) MAPTNAMPTFPR3FPR2TSHR
SCHEMBL21640467 0.71 CTH (0.35) MAPT
SCHEMBL21640229 0.71 EPHX2 (0.33) MAPTNAMPT
SCHEMBL15490185 0.67 HCRTR2 (0.44) MAPTFPR3FPR2KDM4ETDP1
SCHEMBL4920022 0.67 ALDH1A1 (0.52) MAPTTSHRHPGDALDH1A1
SCHEMBL21813824 0.67 MAPT (0.46) MAPTFPR3FPR2KDM4EHPGD
SCHEMBL15500189 0.65 MTNR1A (0.46) MAPTFPR3FPR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 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 (2 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 MAPT 4722/4885NAMPT 3027/4885FPR3 3925/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 MAPT 4766/4885NAMPT 3193/4885FPR3 4123/4885

“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.