SCHEMBL1786722

SCHEMBL1786722

CCCCCCC(=O)[N]C(=O)CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 4/20 0.59
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
HDAC11 Q96DB2 5/20 0.56
TSHR P16473 5/20 0.56
PTPN1 P18031 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE4A P27815 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL10954355 1.00 CES2 (0.59) CES2CES1GPR84PPARGPPARD
SCHEMBL6040271 1.00 CES2 (0.59) CES2CES1GPR84PPARGPPARD
SCHEMBL175600 0.97 CES2 (0.57) CES2CES1GPR84PPARGPPARD
SCHEMBL8013076 0.92 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL543757 0.89 CES1 (0.55) CES2CES1GPR84PPARGPPARD
SCHEMBL9127298 0.89 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL8120301 0.88 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL9126716 0.85 CES2 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL7606403 0.84 CES2 (0.59) CES2CES1GPR84PPARGPPARD
SCHEMBL7610104 0.84 CES2 (0.59) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
EP-0749974-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-06-27 EP disclosed
US-5798344-A TREATING DIABETES, HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-08-25 US disclosed
EP-0749974-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-12-27 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 (2 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 CES2 1100/4885CES1 1773/4885GPR84 400/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 CES2 2696/4885CES1 1165/4885GPR84 867/4885

“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.