SCHEMBL564162

SCHEMBL564162

CCCCC(NC(=O)C(F)(F)F)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CTSK P43235 2/20 0.40
PDF Q9HBH1 1/20 0.39
PADI1 Q9ULC6 3/20 0.37
PADI4 Q9UM07 3/20 0.37
PADI2 Q9Y2J8 2/20 0.37
PADI3 Q9ULW8 2/20 0.36
FAAH O00519 5/20 0.36
CAPN1 P07384 1/20 0.36
CTSB P07858 1/20 0.36
MLYCD O95822 1/20 0.35
CES1 P23141 3/20 0.35
CES2 O00748 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27540264 0.89 EPHX1 (0.38) EPHX1CA1CA2CA12CA9
SCHEMBL30471284 0.85 EPHX1 (0.36) EPHX1CA1CA2CA12CA9
SCHEMBL1236443 0.84 NOD1 (0.49) EPHX1CA1CA2CA12CA9
SCHEMBL8178933 0.84 NOD1 (0.49) EPHX1CA1CA2CA12CA9
SCHEMBL29971811 0.83 CA2 (0.47) CA1CA2CA12CA9CTSK
SCHEMBL3080842 0.83 EPHX1 (0.43) EPHX1CA1CA2CTSKPDF
SCHEMBL28318509 0.81 CA1 (0.51) EPHX1CA1CA2CTSKPDF
SCHEMBL17697188 0.79 PTPN1 (0.37) CA1CA2PADI1PADI4PADI2
SCHEMBL3933327 0.78 SIRT6 (0.50) CA1CA2
SCHEMBL8261479 0.78 SIRT6 (0.50) CA1CA2

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
US-8492416-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-07-23 US disclosed
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 US disclosed
US-7358276-B2 for treating neurological disorders such as epilepsy, neuropathic pain, bipolar disorder or migraine; 2-(2-oxo-4-propyl-1-pyrrolidinyl)butanamide; neuroprotective agent UCB, S.A. (BE) 2008-04-15 US disclosed
US-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2005-08-04 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-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 EPHX1 274/4885CA1 2098/4885CA2 1634/4885
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES CYP1B1, OGDH, CYP1A2 EPHX1 274/4885CA1 2098/4885CA2 1634/4885

“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.