SCHEMBL838697

SCHEMBL838697

CCOC(=O)[C@H](N)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
EPHX2 P34913 1/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TPH1 P17752 4/20 0.43
DPP4 P27487 2/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL839736 1.00 PPARG (0.51) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL1064642 1.00 PPARG (0.51) PPARGEPHX2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL2108091 0.98 PPARG (0.50) PPARGEPHX2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1064640 0.98 PPARG (0.50) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL7224977 0.95 DPP4 (0.49) PPARGEPHX2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7224972 0.94 DPP4 (0.48) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL7960935 0.91 SLC7A5 (0.48) PPARGEPHX2ALDH1A1TPH1SLC7A5
SCHEMBL9967935 0.86 SLC7A5 (0.44) PPARGMAPTMEN1KMT2ALMNA
SCHEMBL20543461 0.86 SLC7A5 (0.44) PPARGMAPTMEN1KMT2ALMNA
SCHEMBL21117856 0.86 SLC7A5 (0.44) PPARGMAPTMEN1KMT2ALMNA

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-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
US-4857553-A SIDE EFFECT REDUCTION A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-15 US disclosed
EP-0302757-A2 Anti-emetic serotonin depleting agents A.H. ROBINS COMPANY, INCORPORATED (US) 1989-02-08 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 (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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 PPARG 1996/4885EPHX2 2477/4885MAPT 2229/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 PPARG 1714/4885EPHX2 2331/4885MAPT 1669/4885

“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.