SCHEMBL17782883

SCHEMBL17782883

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 3/20 0.66
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SCD5 Q86SK9 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RX3 P56373 1/20 0.37
ALK Q9UM73 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL17782915 0.87 DTYMK (0.72) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782928 0.84 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782898 0.84 DTYMK (0.76) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17790406 0.83 DTYMK (0.74) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782892 0.82 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782897 0.82 DTYMK (0.73) DTYMK
SCHEMBL17782862 0.82 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782903 0.81 DTYMK (0.70) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL9886464 0.80 DTYMK (1.00) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782924 0.79 DTYMK (0.66) DTYMKCHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 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-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS DTYMK, TYMP, TK1 DTYMK 1/4885CHRM2 4883/4885CHRM4 4873/4885

“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.