SCHEMBL563577

SCHEMBL563577

CC/C(=C\C(=O)O)c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.47
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TBXAS1 P24557 5/20 0.34
CTSL P07711 1/20 0.33
BCAT2 O15382 1/20 0.33
POLB P06746 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PDPK1 O15530 3/20 0.31
ACACB O00763 1/20 0.31
TBXA2R P21731 2/20 0.31
HTT P42858 1/20 0.30
AR P10275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1914008 0.79 PDPK1 (0.36) HCAR2PDPK1KDM4EALDH1A1
SCHEMBL5991561 0.78 HCAR2 (0.54) HCAR2CYP2C9CYP2C19POLBPDPK1
SCHEMBL7486774 0.78 ESR1 (0.44) HDAC3HDAC1HDAC2PDPK1ALDH1A1
SCHEMBL6515252 0.75 PDPK1 (0.51) HDAC3HDAC1HDAC2PDPK1KDM4E
SCHEMBL2303273 0.75 PDPK1 (0.51) HDAC3HDAC1HDAC2PDPK1KDM4E
SCHEMBL2303277 0.75 PDPK1 (0.51) HDAC3HDAC1HDAC2PDPK1KDM4E
SCHEMBL31324243 0.74 ESR1 (0.38) PDPK1ACACBHTTMEN1ALDH1A1
SCHEMBL29119393 0.73 ALDH1A1 (0.50) POLBHTTMEN1ALDH1A1KMT2A
SCHEMBL2673970 0.72 ALDH1A1 (0.48) POLBHTTKDM4EMEN1ALDH1A1
SCHEMBL10350158 0.72 ESR1 (0.56) CYP2C9CYP2C19TBXAS1TBXA2RHTT

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-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 US disclosed
US-8034958-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UOB Pharma, S.A. (BE) 2011-10-11 US disclosed
US-20050171187-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses DIFFERDING EDMOND (BE) 2005-08-04 US disclosed
US-6911461-B2 For treating epilepsy, epileptogenesis, seizure disorders, convulsions, bipolar disorders, mania, depression, anxiety, migraine, neuralgia, chronic pain, neuropathic pain, cerebral ischemia, cardiac arrhythmia, myotonia, cocaine abuse UCB, S.A. (BE) 2005-06-28 US disclosed
US-20040116507-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB Biopharma SRL (BE) 2004-06-17 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-20050171187-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 HCAR2 980/4885CYP2C9 10/4885CYP2C19 15/4885
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES CYP1B1, OGDH, CYP1A2 HCAR2 980/4885CYP2C9 10/4885CYP2C19 15/4885

“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.