SCHEMBL17028596

SCHEMBL17028596

OC1(c2ccc(Br)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
DAO P14920 1/20 0.35
GSK3B P49841 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SNCA P37840 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
SCHEMBL17028528 0.91 HPGD (0.38) CES2CES1HPGDPOLBDAO
SCHEMBL9085983 0.86 HTT (0.36) CES2CES1HPGDPOLBDAO
SCHEMBL29134942 0.81 HPGD (0.33) CES2CES1HPGDPOLBDAO
SCHEMBL17028581 0.77 HPGD (0.32) CES2CES1HPGDPOLBDAO
SCHEMBL9085747 0.73 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL19507038 0.73 HCAR3 (0.37) HPGDDAOALDH1A1
SCHEMBL29268033 0.68 SLC6A2 (0.30) HPGDPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL13209013 0.67 SLC6A2 (0.40) CES2CES1HPGDPOLBDAO
SCHEMBL19475517 0.66 CA2 (0.43)
SCHEMBL23878712 0.65 HCAR3 (0.35) DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107901-B1 COMPOUNDS FOR USE AS GPR120 AGONISTS PIRAMAL ENTPR LTD (IN) 2020-04-01 EP disclosed
US-10227360-B2 Compounds for use as GPR120 agonists Piramal Enterprises Limited (IN) 2019-03-12 US disclosed
EP-3107901-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2016-12-28 EP disclosed
US-20160347768-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2016-12-01 US disclosed
WO-2015125085-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2015-08-27 WO 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-10227360-B2 Compounds for use as GPR120 agonists GPR119, GPR55, GPR180 CES2 3002/4885CES1 1565/4885HPGD 718/4885
US-20160347768-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS GPR119, GPR55, GPR180 CES2 3002/4885CES1 1565/4885HPGD 718/4885

“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.