SCHEMBL866109

SCHEMBL866109

Cc1ncsc1CCCCCCC(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
PKM P14618 1/20 0.39
SLC6A3 Q01959 1/20 0.38
MAPT P10636 1/20 0.37
TBXAS1 P24557 2/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL863530 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL24023361 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1LMNACYP1A2
Acetic Acid SCHEMBL3851421 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1LMNACYP1A2
Cloprothiazole SCHEMBL1069474 0.69 ALDH1A1 (0.81) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL13630791 0.69 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL7782757 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL24786601 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL5696751 0.68 GPR84 (0.76) GPR84FFAR1MAPTTBXAS1
SCHEMBL767915 0.68 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1LMNACYP1A2
SCHEMBL2208741 0.68 KDM4E (0.52) ALDH1A1KDM4EMEN1LMNACYP1A2

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
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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 (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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE ALDH1A1 779/4885KDM4E 213/4885MEN1 4821/4885

“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.