SCHEMBL17782876

SCHEMBL17782876

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3ccc(F)cc3c2=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.73
PLK1 P53350 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
S1PR2 O95136 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL17782897 0.92 DTYMK (0.73) DTYMK
SCHEMBL9886464 0.84 DTYMK (1.00) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782898 0.83 DTYMK (0.76) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17790406 0.82 DTYMK (0.74) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782903 0.81 DTYMK (0.70) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782862 0.81 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782892 0.81 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782928 0.81 DTYMK (0.73) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782915 0.80 DTYMK (0.72) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782917 0.79 DTYMK (0.70) 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 1/4885PLK1 272/4885CHRM2 4883/4885

“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.