SCHEMBL21117877

SCHEMBL21117877

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SLC6A4 P31645 1/20 0.48
CTSC P53634 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
PMP22 Q01453 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2734222 1.00 EPHX2 (0.51) EPHX2SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL6365766 1.00 EPHX2 (0.51) EPHX2SLC6A2SLC6A3SLC6A4CTSC
Hydrochloric Acid SCHEMBL5806378 0.98 EPHX2 (0.50) EPHX2SLC6A2SLC6A3SLC6A4CTSC
SCHEMBL7960935 0.91 SLC7A5 (0.48) EPHX2PPARGALDH1A1
Hydrochloric Acid SCHEMBL7494090 0.88 MAOB (0.57) LMNAPPARA
SCHEMBL27558672 0.88 ALPI (0.45) EPHX2LMNAPPARGPPARAMAPT
SCHEMBL21117856 0.86 SLC7A5 (0.44) LMNAPPARGPPARAMAPTNPSR1
SCHEMBL14139328 0.86 SLC7A5 (0.44) CYP3A4CYP1A2LMNAPPARGPPARA
SCHEMBL20543461 0.86 SLC7A5 (0.44) LMNAPPARGPPARAMAPTNPSR1
SCHEMBL9967935 0.86 SLC7A5 (0.44) LMNAPPARGPPARAMAPTNPSR1

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 2 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

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 EPHX2 2477/4885SLC6A2 837/4885SLC6A3 733/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 EPHX2 2331/4885SLC6A2 726/4885SLC6A3 707/4885

“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.