SCHEMBL20141938

SCHEMBL20141938

CCCCCCCCCCCCCCCCCCSC(=S)SC(C)(C#N)CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL19269475 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL14486506 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL851743 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31314992 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL23398348 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31314993 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL23361291 1.00 GPR84 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31379944 0.96 HSD17B10 (0.39) GPR84PPARGPPARDPPARAHDAC11
Methoxymethane SCHEMBL29793921 0.96 GPR84 (0.34) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2231683 0.95 AKR1B1 (0.33) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267684-A Surfactant and preparation method thereof 明尼苏达大学董事会 2019-09-20 CN disclosed
EP-3538156-A1 SURFACTANTS AND METHODS FOR MAKING SAME Regents of the University of Minnesota (US) 2019-09-18 EP disclosed
US-20190256626-A1 SURFACTANTS AND METHODS FOR MAKING SAME UNIV MINNESOTA (US) 2019-08-22 US disclosed
US-20190256626-A1 SURFACTANTS AND METHODS FOR MAKING SAME UNIV MINNESOTA (US) 2019-08-22 US disclosed
WO-2018089810-A1 SURFACTANTS AND METHODS FOR MAKING SAME REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-17 WO disclosed
WO-2018089810-A1 SURFACTANTS AND METHODS FOR MAKING SAME REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-17 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 (1 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-20190256626-A1 SURFACTANTS AND METHODS FOR MAKING SAME SGMS1, SGMS2, ABHD16A GPR84 3518/4885PPARG 3979/4885PPARD 3717/4885

“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.