SCHEMBL17359393

SCHEMBL17359393

COC(=O)CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
MAPT P10636 1/20 0.33
CTSA P10619 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL17357044 0.84 HMGCR (0.37) HMGCRPOLBTSHRCTSAACHE
SCHEMBL8382256 0.81 ALDH1A1 (0.42) HMGCRPOLBTSHRCTSAACHE
SCHEMBL6016751 0.79 HMGCR (0.39) HMGCRPOLBCTSAACHEKDM4E
SCHEMBL11345116 0.76 GAA (0.41) HMGCRPOLBTSHRMAPTHSD17B10
SCHEMBL17359390 0.74 TSHR (0.42) POLBTSHRHSD17B10MGAMGAA
SCHEMBL5077875 0.73 TSHR (0.50) TSHRMAPTHSD17B10MGAMGAA
SCHEMBL5081302 0.73 TSHR (0.50) TSHRMAPTHSD17B10MGAMGAA
SCHEMBL11581158 0.72 TSHR (0.46) TSHRMAPTCTSAACHEHSD17B10
SCHEMBL2717779 0.71 POLB (0.40) POLBTSHRCTSAACHEHSD17B10
SCHEMBL3083350 0.71 HMGCR (0.44) HMGCRPOLBCTSAACHEKDM4E

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-9296703-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-29 US disclosed
US-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors UNIVERSITY OF UTAH 2015-12-24 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-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors BTK, SYK, LYN HMGCR 3818/4885POLB 3854/4885TSHR 792/4885

“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.