SCHEMBL14238797

SCHEMBL14238797

O=C(NCC#CCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)c1ccc(CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TK2 O00142 1/20 0.33
TK1 P04183 1/20 0.33

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
SCHEMBL14217402 0.94 EPHX2 (0.34) TERTCA12CA1CA2CA5A
SCHEMBL12373120 0.89 TK1 (0.39) TK2TK1
SCHEMBL2284113 0.89 TK1 (0.39) TK2TK1
SCHEMBL13366937 0.88 TK2 (0.36) TERTCA12CA1CA2CA5A
SCHEMBL13366932 0.84 TK2 (0.34) TERTCA12CA1CA2CA5A
SCHEMBL12373123 0.84
SCHEMBL2619409 0.82 LMNA (0.41) TK2TK1
SCHEMBL14217403 0.81 TERT (0.35) TERTCA12CA1CA2CA5A
SCHEMBL2276807 0.79 LMNA (0.34) TK2TK1
SCHEMBL14238795 0.79 TK2 (0.40) TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 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-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT TERT 206/4885CA12 4756/4885CA1 4808/4885

“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.