SCHEMBL14906282

SCHEMBL14906282

CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
CNR2 P34972 1/20 0.43
MMP2 P08253 9/20 0.42
MMP1 P03956 4/20 0.42
MMP3 P08254 4/20 0.42
GPR84 Q9NQS5 5/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41

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) CSNK1EGPR84FFAR4FFAR1
SCHEMBL15044769 0.90 GPR84 (0.40) CSNK1EGPR84PTGESALOX5PPARG
SCHEMBL28357247 0.82 CSNK1E (0.46) CSNK1ECNR2
SCHEMBL15044785 0.82 CSNK1E (0.46) CSNK1ECNR2
SCHEMBL28357249 0.82 CSNK1E (0.46) CSNK1ECNR2
SCHEMBL16525596 0.82 CSNK1E (0.46) CSNK1ECNR2
SCHEMBL19514829 0.81 FAAH (0.44) CSNK1EFFAR4
SCHEMBL26624055 0.80 GPR84 (0.51) GPR84FFAR4FFAR1
SCHEMBL15044880 0.80 GPR84 (0.34) CSNK1EGPR84PPARGFFAR4FFAR1
SCHEMBL14906335 0.80 SMN1; SMN2 (0.52) MMP2MMP1

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 8 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-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-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
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 US disclosed
WO-2013063468-A1 AMINO ACID DERIVATES FUNCTIONALIZED ON THE N- TERMINAL CAPABLE OF FORMING DRUG INCAPSULATING MICROSPHERES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-02 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 (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 CSNK1E 2281/4885CNR2 1863/4885MMP2 2981/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 CSNK1E 2281/4885CNR2 1863/4885MMP2 2981/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 CSNK1E 2281/4885CNR2 1863/4885MMP2 2981/4885

“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.