SCHEMBL17782892

SCHEMBL17782892

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2sc3cc(Cl)ccc3c2=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 3/20 0.73
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX3 P56373 1/20 0.45
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
STS P08842 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL17782898 0.89 DTYMK (0.76) DTYMKP2RX3VEGFAEGLN1CHRM2
SCHEMBL17790406 0.88 DTYMK (0.74) DTYMKMEN1KMT2ACHRM2CHRM4
SCHEMBL17782928 0.87 DTYMK (0.73) DTYMKP2RX3CHRM2CHRM4CHRM1
SCHEMBL17782897 0.87 DTYMK (0.73) DTYMK
SCHEMBL17782915 0.86 DTYMK (0.72) DTYMKSTSCHRM2CHRM4CHRM1
SCHEMBL17782903 0.85 DTYMK (0.70) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL9886464 0.84 DTYMK (1.00) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL17782883 0.82 DTYMK (0.66) DTYMKP2RX3CHRM2CHRM4CHRM1
SCHEMBL17782924 0.82 DTYMK (0.66) DTYMKP2RX3CHRM2CHRM4CHRM1
SCHEMBL17782876 0.81 DTYMK (0.73) 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 1/4885MEN1 3803/4885KMT2A 2541/4885

“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.