SCHEMBL19475137

SCHEMBL19475137

CCCCCC[C@@H](O)C/C=C/CC[C@@H](O[Si](C)(C)C(C)(C)C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
FAAH O00519 5/20 0.44
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TRPV1 Q8NER1 2/20 0.36
GPR84 Q9NQS5 4/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
SPTLC1 O15269 1/20 0.32
SPTLC2 O15270 1/20 0.32
DGKA P23743 1/20 0.32

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
SCHEMBL19475138 1.00 FFAR1 (0.48) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL20996807 0.83 KDM4E (0.41) FFAR1FFAR4FAAHMEN1TP53
SCHEMBL1667148 0.83 CA2 (0.40) FFAR1GPR84
SCHEMBL7046890 0.81 CA2 (0.41) FFAR1GPR84TP53
SCHEMBL19475046 0.81 FAAH (0.36) FFAR1FFAR4FAAHGPR84MEN1
SCHEMBL19475004 0.81 FAAH (0.36) FFAR1FFAR4FAAHGPR84MEN1
SCHEMBL19475374 0.78 S1PR2 (0.41)
SCHEMBL19475376 0.78 S1PR2 (0.41)
SCHEMBL19900476 0.77 CA2 (0.46)
SCHEMBL19900563 0.77 CA2 (0.46)

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-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 WO disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP FFAR1 3682/4885FFAR4 3685/4885FAAH 981/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FFAR1 3988/4885FFAR4 3997/4885FAAH 1130/4885

“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.