SCHEMBL5387956

SCHEMBL5387956

O=C(N1C[C@@H](O)[C@@H](O)C1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
EPHX2 P34913 2/20 0.33
KDM1A O60341 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
SCHEMBL5387959 1.00 EPHX1 (0.35) EPHX1ESR1ESR2EPHX2KDM1A
SCHEMBL9235459 0.85 PDK1 (0.36) EPHX1ESR1ESR2EPHX2KDM1A
SCHEMBL12910028 0.78 DPP4 (0.36) EPHX1ESR1ESR2EPHX2
SCHEMBL3290798 0.76 PDK2 (0.36) EPHX1ESR1ESR2KDM1A
SCHEMBL14515528 0.76 ALDH1A1 (0.34) EPHX1ESR1ESR2EPHX2
SCHEMBL10223225 0.75 RIPK1 (0.34)
SCHEMBL1972135 0.75 RIPK1 (0.34)
SCHEMBL10223178 0.75 RIPK1 (0.34)
SCHEMBL25344387 0.75 CHRNB2 (0.54)
SCHEMBL22235592 0.75 EPHX1 (0.33) EPHX1ESR1ESR2EPHX2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 EPHX1 4014/4885ESR1 2970/4885ESR2 3404/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EPHX1 3618/4885ESR1 2957/4885ESR2 3984/4885

“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.