SCHEMBL5855784

SCHEMBL5855784

CC(C)(OCCCCCCC(NC(=O)c1ccc(Cl)cc1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.46
SORT1 Q99523 3/20 0.46
ALB P02768 1/20 0.45
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
CA2 P00918 3/20 0.44
POLB P06746 1/20 0.43
C3AR1 Q16581 1/20 0.42
HTT P42858 1/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FABP2 P12104 1/20 0.42
PPARD Q03181 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL5858331 0.92 PSEN1 (0.43) GRNSORT1ALBPSEN1PSEN2
SCHEMBL5858508 0.90 TGM2 (0.45) GRNSORT1CA2POLBC3AR1
SCHEMBL5857654 0.90 ALB (0.46) GRNSORT1ALBCA2C3AR1
SCHEMBL5857630 0.90 ITGB3 (0.47) GRNSORT1CA2C3AR1PPARA
SCHEMBL5858377 0.90 ITGB3 (0.47) GRNSORT1CA2C3AR1PPARA
SCHEMBL5856010 0.90 ITGB3 (0.47) GRNSORT1CA2C3AR1PPARA
SCHEMBL5855402 0.89 FOLH1 (0.48) ALBCA2ALDH1A1CA12CA1
SCHEMBL5856188 0.82 POLB (0.44) GRNSORT1ALBPSEN1PSEN2
SCHEMBL5857551 0.82 PPARG (0.40) ALBCA2PPARAPPARGPPARD
SCHEMBL5855147 0.82 NR1H4 (0.41) CA2POLBHTTPPARAPPARG

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 GRN 1178/4885SORT1 1241/4885ALB 631/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE GRN 1615/4885SORT1 1191/4885ALB 1124/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC GRN 1788/4885SORT1 1568/4885ALB 1460/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC GRN 1788/4885SORT1 1568/4885ALB 1460/4885

“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.