SCHEMBL11908045

SCHEMBL11908045

CCCCCCCCCCCCCCCCC(S)(CC(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL28923839 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL11173653 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL28384093 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL29260480 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL11859866 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL1043350 0.85 CES2 (0.45) CES2KMT2AMAPTGPR84PPARG
SCHEMBL11168581 0.83 CES2 (0.44) CES2KMT2AMAPTGPR84PPARG
SCHEMBL1318194 0.83 CES2 (0.44) CES2KMT2AMAPTGPR84PPARG
SCHEMBL11168567 0.81 CES2 (0.42) CES2KMT2AMAPTGPR84PPARG
SCHEMBL7639659 0.81 CES2 (0.42) CES2KMT2AMAPTGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221763-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-29 US disclosed
US-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-05 US disclosed
US-20120209008-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE, INC. (US) 2012-08-16 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-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 CES2 3212/4885KMT2A 683/4885MAPT 2206/4885
US-20120209008-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 CES2 3212/4885KMT2A 683/4885MAPT 2206/4885

“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.