Sugi Predict

Sugi Predict / Compounds / SCHEMBL15044769

SCHEMBL15044769

SCHEMBL15044769

CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)C(Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.40
▸ CSNK1E P49674 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38

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
SCHEMBL14906484 0.90 TRPV1 (0.50) GPR84CSNK1EFFAR1FFAR4TRPV1
SCHEMBL14906282 0.90 CSNK1E (0.50) GPR84CSNK1EFFAR1FFAR4PTGES
SCHEMBL15044806 0.83 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9NFKB1THPO
SCHEMBL26624055 0.78 GPR84 (0.51) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906343 0.77 GPR84 (0.54) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL28223654 0.76 PTGES (0.50) CYP1A2PTGESALOX5PPARGGRIK1
SCHEMBL14906306 0.76 GPR84 (0.49) GPR84FFAR1FFAR4NFKB1GRIK1
SCHEMBL7768894 0.76 PTGES (0.50) CYP1A2PTGESALOX5PPARGGRIK1
SCHEMBL14906293 0.76 GPR84 (0.62) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906281 0.74 FFAR1 (0.58) GPR84FFAR1FFAR4PPARGFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-08 — — US disclosed
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-15 — — US disclosed
US-9512073-B2 Amino acid-, peptide-and polypeptide-lipids, isomers, compositions, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-06 — — US disclosed
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 — — 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 (3 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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885CSNK1E 2281/4885FFAR1 129/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885CSNK1E 2281/4885FFAR1 129/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885CSNK1E 2281/4885FFAR1 129/4885

“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.