SCHEMBL19297948

SCHEMBL19297948

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nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 3/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
XPO1 O14980 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TUBAL3 A6NHL2 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBA8 Q9NY65 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIN1 Q13526 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL19297933 1.00 PDCD4 (0.36) PDCD4NFKB1NFKB2RELAXPO1
SCHEMBL19284482 1.00 PDCD4 (0.36) PDCD4NFKB1NFKB2RELAXPO1
SCHEMBL20246837 0.81 XPO1 (0.37) PDCD4NFKB1NFKB2RELAXPO1
SCHEMBL18196045 0.74 PDCD4 (0.38) PDCD4XPO1TUBAL3TUBA3CTUBA1B
SCHEMBL18196028 0.74 PDCD4 (0.38) PDCD4XPO1TUBAL3TUBA3CTUBA1B
SCHEMBL8974583 0.71 TSHR (0.39) NFKB1NFKB2RELAGSK3AGSK3B
SCHEMBL23638982 0.70 NFKB1 (0.33) NFKB1NFKB2RELAKDM4EKMT2A
SCHEMBL23922439 0.69 GSK3A (0.41) NFKB1NFKB2RELAGSK3AGSK3B
SCHEMBL10330199 0.67
SCHEMBL14966326 0.65 POLB (0.51) KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214298-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES UNIV CALIFORNIA (US) 2021-07-15 US disclosed
WO-2017147098-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-31 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 (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-20210214298-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES GCK, G6PD, SLC2A4 PDCD4 1259/4885NFKB1 3757/4885NFKB2 3159/4885

“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.