Sugi Predict

Sugi Predict / Compounds / SCHEMBL1672149

SCHEMBL1672149

SCHEMBL1672149

CCOC(=O)CC(CCC(F)(F)F)C[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CHRM1 P11229 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL1664773 0.84 MAPT (0.38) KDM4ELMNAMAPTMGAMGAA
SCHEMBL235713 0.84 GAA (0.41) KDM4ELMNAMGAMGAASI
SCHEMBL5105701 0.82 TSHR (0.41) KDM4ELMNAMAPTMGAMGAA
SCHEMBL29632440 0.79 TLR4 (0.41) KDM4ELMNAMAPTALDH1A1CYP3A4
SCHEMBL17079711 0.79 TLR4 (0.41) KDM4ELMNAMAPTALDH1A1CYP3A4
SCHEMBL27836859 0.78 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4302076 0.78 MAPT (0.38) KDM4ELMNAMAPTMGAMGAA
SCHEMBL1410099 0.77 CPA1 (0.45) KDM4ELMNAMAPTMGAMGAA
SCHEMBL1228652 0.77 CPA1 (0.45) KDM4ELMNAMAPTMGAMGAA
SCHEMBL29021009 0.77 MAPT (0.37) KDM4ELMNAMAPTMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491045-B1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2015-12-23 — — EP disclosed
US-8822508-B2 2-oxo-1-pyrrolidinyl imidazothiadiazole derivatives UCB PHARMA, S.A. (BE) 2014-09-02 — — US disclosed
US-8822508-B2 2-oxo-1-pyrrolidinyl imidazothiadiazole derivatives UCB PHARMA, S.A. (BE) 2014-09-02 — — US disclosed
US-8822508-B2 2-oxo-1-pyrrolidinyl imidazothiadiazole derivatives UCB PHARMA, S.A. (BE) 2014-09-02 — — US disclosed
US-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives UCB PHARMA, S.A. (BE) 2012-09-27 — — US disclosed
US-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives UCB PHARMA, S.A. (BE) 2012-09-27 — — US disclosed
US-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives UCB PHARMA, S.A. (BE) 2012-09-27 — — US disclosed
EP-2491045-A1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB Pharma S.A. (BE) 2012-08-29 — — EP disclosed
WO-2011047860-A1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB PHARMA, S.A. (BE) 2011-04-28 — — WO 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-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives CYP3A4, CYP3A43, CYP3A7 KDM4E 3792/4885LMNA 3517/4885MAPT 1016/4885

“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.