SCHEMBL5855899

SCHEMBL5855899

CC(=O)C(CCCCCCOC(C)(C)C(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.46
CTSG P08311 6/20 0.46
CTRB1 P17538 6/20 0.46
CMA1 P23946 6/20 0.46
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
PADI1 Q9ULC6 5/20 0.43
PADI4 Q9UM07 5/20 0.43
PADI2 Q9Y2J8 4/20 0.43
PADI3 Q9ULW8 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PADI6 Q6TGC4 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40

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
SCHEMBL5855307 1.00 PRSS1 (0.46) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5855621 1.00 PRSS1 (0.46) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5856010 0.92 ITGB3 (0.47) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5857630 0.92 ITGB3 (0.47) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5858377 0.92 ITGB3 (0.47) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5855731 0.91 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1PADI1
SCHEMBL5857551 0.91 PPARG (0.40) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5855758 0.91 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1PADI1
SCHEMBL5855147 0.91 NR1H4 (0.41) PRSS1CTSGCTRB1CMA1PPARG
SCHEMBL5855987 0.91 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1PADI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB PRSS1 943/4885CTSG 2668/4885CTRB1 209/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE PRSS1 775/4885CTSG 2708/4885CTRB1 229/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC PRSS1 781/4885CTSG 2984/4885CTRB1 266/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC PRSS1 781/4885CTSG 2984/4885CTRB1 266/4885

“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.