SCHEMBL5079254

SCHEMBL5079254

O=C(O)C(=O)CC1(c2cccc(C(F)(F)F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
P2RX7 Q99572 3/20 0.37
NOTUM Q6P988 2/20 0.37
EPHX2 P34913 4/20 0.34
KAT6A Q92794 1/20 0.34
PDE7A Q13946 1/20 0.34
CTSS P25774 1/20 0.34
ORAI1 Q96D31 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL984225 0.82 HDAC4 (0.49) HDAC4EPHX2PDE7AORAI1KDM4E
SCHEMBL27687662 0.77 HTT (0.42) P2RX7KAT6AMEN1KMT2ACA12
SCHEMBL3924833 0.72 HDAC3 (0.42) FFAR4KDM4EMEN1KMT2ACA12
SCHEMBL5077894 0.72 MAPT (0.46) KDM4EMEN1KMT2ANPSR1
SCHEMBL5079244 0.70 SLC6A4 (0.52) EPHX2
SCHEMBL3924576 0.70 HDAC4 (0.44) HDAC4
SCHEMBL14263259 0.69 ORAI1 (0.46) HDAC4EPHX2ORAI1KDM4EMEN1
SCHEMBL2783267 0.69 NOTUM (0.41) HDAC4FFAR4P2RX7NOTUM
SCHEMBL5075891 0.67 PDE7A (0.38) HDAC4FFAR4P2RX7NOTUMEPHX2
SCHEMBL6583082 0.67 MAOA (0.50) MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388006-B2 Non-steroidal progesting BAYER SCHERING PHARMA AG (DE) 2008-06-17 US disclosed
EP-1482925-B1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL]-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2007-01-17 EP disclosed
EP-1482925-A1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL!-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY Schering AG (DE) 2004-12-08 EP disclosed
US-20030232824-A1 Non-steroidal progesting SCHERING AG (DE) 2003-12-18 US disclosed
WO-2003075915-A1 5-}2-HYDROXY-3-`1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPYL!-PROPIONYLAMINO}- PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2003-09-18 WO disclosed
EP-1344776-A1 5- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -phtalide and 6- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -4-methyl-2,3-benzoxazin-1-one derivatives with progesterone receptor modulating activity for use in fertility control, hormone replacement therapy and the treatment of gynecological disorders Schering Aktiengesellschaft (DE) 2003-09-17 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-20030232824-A1 Non-steroidal progesting PGR, NR5A1, GPER1 HDAC4 1718/4885FFAR4 295/4885P2RX7 3002/4885

“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.