SCHEMBL17210594

SCHEMBL17210594

C/C=C\CCCCCCCCO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BDNF P23560 3/20 0.42
▸ PTN P21246 2/20 0.42
▸ MDK P21741 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ SELP P16109 3/20 0.36
▸ LGALS8 O00214 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ BMP2 P12643 1/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ CXCL12 P48061 1/20 0.33
▸ SHH Q15465 1/20 0.33
▸ B4GALT1 P15291 1/20 0.33
▸ IGF2R P11717 3/20 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
SCHEMBL17210591 0.91 BDNF (0.45) BDNFPTNMDKMAPK1SELP
SCHEMBL17210625 0.89 MAPK1 (0.54) BDNFPTNMDKMAPK1CA1
SCHEMBL17208461 0.80 MAPK1 (0.64) BDNFPTNMDKMAPK1CA1
SCHEMBL17208463 0.80 MAPK1 (0.64) BDNFPTNMDKMAPK1CA1
SCHEMBL17091478 0.80 MAPK1 (0.63) BDNFPTNMDKMAPK1CA1
SCHEMBL17210569 0.80 IGF2R (0.38) BDNFPTNMDKCA1CA2
SCHEMBL16694650 0.78 MAPK1 (0.67) MAPK1CA1CA2CA9SELP
SCHEMBL17091458 0.78 MAPK1 (0.67) MAPK1CA1CA2CA9SELP
SCHEMBL17091464 0.78 MAPK1 (0.67) MAPK1CA1CA2CA9SELP
SCHEMBL17210593 0.74 MAPK1 (0.73) MAPK1CA1CA2CA9LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307539-A1 USE OF SULPHATED GLYCOLIPIDS AS PROMOTERS OF NEURITIC GROWTH, MYELINATION AND INHIBITING THE PROLIFERATION OF ASTROGLIA AND MICROGLIA CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2015-10-29 — — 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 (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-20150307539-A1 USE OF SULPHATED GLYCOLIPIDS AS PROMOTERS OF NEURITIC GROWTH, MYELINATION AND INHIBITING THE PROLIFERATION OF ASTROGLIA AND MICROGLIA BDNF, MAG, NTRK2 BDNF 1/4885PTN 771/4885MDK 2406/4885

“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.

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