SCHEMBL14217404

SCHEMBL14217404

CC[C@@H]1CC[C@H](n2cc(CC#CCNC(=O)c3ccc(CNC(=O)c4ccc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6c(CN)c(O)ccc56)c4)cc3)c(=O)[nH]c2=O)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.34
HTRA2 O43464 7/20 0.32
HTRA1 Q92743 7/20 0.32
ALB P02768 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL14217406 0.97 SLC5A2 (0.34) SLC5A2HTRA2HTRA1ALBHAVCR2
SCHEMBL13338350 0.89 SLC5A2 (0.32) SLC5A2HTRA2HTRA1
SCHEMBL14217405 0.89 SLC5A2 (0.32) SLC5A2HTRA2HTRA1
SCHEMBL12373128 0.86 SLC5A2 (0.31) SLC5A2
SCHEMBL14240023 0.85 SLC5A2 (0.32) SLC5A2CA12CA1CA2CA9
SCHEMBL13366935 0.82 KMT2A (0.34) SLC5A2HAVCR2CA12CA1CA2
SCHEMBL12373110 0.81
SCHEMBL12373127 0.80 SLC5A2 (0.30) SLC5A2
SCHEMBL12373111 0.77
SCHEMBL14239765 0.77 TERT (0.32) SLC5A2CA12CA1CA2CA9

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-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
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 SLC5A2 2705/4885HTRA2 3110/4885HTRA1 4704/4885

“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.