SCHEMBL5855413

SCHEMBL5855413

CCOC(=O)C(C/C=C/CC(C(=O)O)C(=O)O)(NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 4/20 0.43
ATM Q13315 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5855427 1.00 MAPK1 (0.47) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5858423 0.86 MAPK1 (0.48) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5858418 0.86 MAPK1 (0.48) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5856073 0.82 MAPK1 (0.45) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL621763 0.78 ALDH1A1 (0.52) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5857372 0.75 MAPK1 (0.41) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL18196123 0.74 MAPK1 (0.48) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5855727 0.72 ATM (0.54) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5073131 0.72 MAPK1 (0.47) MAPK1ALDH1A1RECQLKMT2AATM
SCHEMBL5856049 0.72 ATM (0.53) MAPK1ALDH1A1RECQLKMT2AATM

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 MAPK1 484/4885ALDH1A1 760/4885RECQL 2268/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE MAPK1 368/4885ALDH1A1 571/4885RECQL 1900/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPK1 194/4885ALDH1A1 557/4885RECQL 1757/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPK1 194/4885ALDH1A1 557/4885RECQL 1757/4885

“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.