SCHEMBL2019399

SCHEMBL2019399

CC(=O)SCC1CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
ACE P12821 2/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 3/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL766758 0.77 PIK3CD (0.37) ACESMN1; SMN2CYP2C19
SCHEMBL12467313 0.76 GPR119 (0.39) GPR119MAPK1LMNAKMT2AALDH1A1
SCHEMBL21987547 0.75 FFAR3 (0.45) ACE
SCHEMBL21987551 0.75 FFAR3 (0.45) ACE
Acetic Acid SCHEMBL9900974 0.74 ACE (0.46) LMNAACECYP2C19POLB
Acetic Acid SCHEMBL9900145 0.72 ACE (0.45) LMNAACECYP2C19POLB
Ammonia Solution, Strong SCHEMBL7435862 0.72 ACE (0.39) KMT2AACECYP2C19
SCHEMBL5641934 0.72 EPHX1 (0.43) KMT2AACE
SCHEMBL2450101 0.72 FFAR4 (0.39) GPR119MAPK1LMNAALDH1A1POLB
SCHEMBL8227441 0.72 LMNA (0.36) GPR119MAPK1LMNAKMT2AALDH1A1

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-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
EP-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US 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-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 GPR119 755/4885MAPK1 4630/4885LMNA 2266/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 GPR119 3218/4885MAPK1 3272/4885LMNA 4287/4885

“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.