SCHEMBL13640512

SCHEMBL13640512

CC(=O)OCC1O[C@@H](OC(C)=O)C(OS(=O)(=O)C(F)(F)F)[C@@H](C)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.43
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 12/20 0.39
CA1 P00915 11/20 0.39
CA9 Q16790 10/20 0.39
P4HB P07237 1/20 0.38
PDIA4 P13667 1/20 0.38
PDIA3 P30101 1/20 0.38
CA4 P22748 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL17022272 0.88 CA2 (0.33) CA2P4HBPDIA4PDIA3
SCHEMBL17195630 0.88 CA2 (0.33) CA2P4HBPDIA4PDIA3
SCHEMBL12015097 0.88 CA2 (0.33) CA2P4HBPDIA4PDIA3
SCHEMBL543668 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL1753653 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL543667 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL12128029 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL16383664 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL5047747 0.86 CA2 (0.55) CA2CYP2D6THRBHSD17B10LMNA
SCHEMBL26824176 0.82 CA2 (0.42) CA2CYP2D6THRBHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023316-B2 Synthesis of 18F-labeled tracers in hydrous organic solvents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2015-05-05 US disclosed
US-20130005956-A1 Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-03 US disclosed
US-20120283490-A1 System, Device and Method for Preparing Tracers and Transferring Materials During Radiosynthesis SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-08 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 (2 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-20120283490-A1 System, Device and Method for Preparing Tracers and Transferring Materials During Radiosynthesis TERT, VHL, REV1 CA2 4693/4885CYP2D6 885/4885THRB 1276/4885
US-20130005956-A1 Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents SLCO1B1, SLCO4C1, SLCO2B1 CA2 2094/4885CYP2D6 1097/4885THRB 2464/4885

“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.