SCHEMBL19475376

SCHEMBL19475376

CCCCCCC(N)CCCCCC(O[Si](C)(C)C(C)(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
ALDH1A1 P00352 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 1/20 0.36
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
LAP3 P28838 1/20 0.34
SMPD1 P17405 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL19475374 1.00 S1PR2 (0.41) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL1667148 0.94 CA2 (0.40) GRIK1GRIK2CA2CA1SLC1A2
SCHEMBL7046890 0.93 CA2 (0.41) GRIK1GRIK2CA2CA1SLC1A2
SCHEMBL19900563 0.88 CA2 (0.46) GRIK1GRIK2CA2CA1SLC1A2
SCHEMBL19900476 0.88 CA2 (0.46) GRIK1GRIK2CA2CA1SLC1A2
SCHEMBL19900480 0.88 CA2 (0.46) GRIK1GRIK2CA2CA1SLC1A2
SCHEMBL19475046 0.86 FAAH (0.36) GRIK1GRIK2CA2CA1ZDHHC7
SCHEMBL19475004 0.86 FAAH (0.36) GRIK1GRIK2CA2CA1ZDHHC7
SCHEMBL18291171 0.82 CA2 (0.36) CA2CA1
SCHEMBL9842167 0.81 GPR84 (0.44) GRIK1GRIK2CA2SLC1A2SLC1A1

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-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

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 S1PR2 559/4885S1PR1 390/4885S1PR3 220/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 S1PR2 779/4885S1PR1 532/4885S1PR3 311/4885

“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.