SCHEMBL5857372

SCHEMBL5857372

CCOC(=O)C(C/C=C/C[C@H]1CO[C@@](C)(C(=O)OCC)OC1)(NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 2/20 0.38
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5858134 0.83 ATM (0.48) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5967803 0.82 ATM (0.48) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5855716 0.81 ATM (0.47) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5858418 0.78 MAPK1 (0.48) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5858423 0.78 MAPK1 (0.48) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5855427 0.75 MAPK1 (0.47) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5855413 0.75 MAPK1 (0.47) MAPK1KMT2AMEN1ALDH1A1RECQL
SCHEMBL5855749 0.74 THRB (0.42) KMT2AMEN1ALDH1A1ATMNPSR1
SCHEMBL5967772 0.74 HTT (0.43) KMT2AMEN1ALDH1A1ATMNPSR1
SCHEMBL5857532 0.73 THRB (0.40) KMT2AMEN1ALDH1A1RECQLATM

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 484/4885KMT2A 1723/4885MEN1 1291/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE MAPK1 368/4885KMT2A 2137/4885MEN1 1359/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPK1 194/4885KMT2A 2456/4885MEN1 1356/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPK1 194/4885KMT2A 2456/4885MEN1 1356/4885

“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.