SCHEMBL17345933

SCHEMBL17345933

O=P(CCNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.48
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.45
KIF11 P52732 10/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
ALPG P10696 1/20 0.42
ALOX12 P18054 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL17345924 0.84 NPC1 (0.54) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL1906153 0.82 SIRT2 (0.63) SIRT2KIF11
SCHEMBL30556728 0.80 GAA (0.65) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL17335830 0.78 GAA (0.50) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL17345938 0.77 NPC1 (0.51) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL17346082 0.75 MAPT (0.55) TSHRGAAKIF11ALDH1A1MEN1
SCHEMBL17345922 0.75 SMN1; SMN2 (0.54) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL16653155 0.73 KIF11 (0.53) KIF11ALDH1A1MEN1KMT2A
SCHEMBL1706149 0.72 SIRT2 (0.47) SIRT2KIF11ALDH1A1HTT
SCHEMBL7206096 0.72 KIF11 (0.57) SIRT2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation TRIAD NATIONAL SECURITY, LLC (US) 2022-06-28 US disclosed
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation TRIAD NATIONAL SECURITY, LLC (US) 2022-06-28 US disclosed
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION U.S. DEPARTMENT OF ENERGY 2020-10-01 US disclosed
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION U.S. DEPARTMENT OF ENERGY 2020-10-01 US disclosed
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 WO 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 (4 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN SIRT2 2679/4885TSHR 4074/4885GAA 4253/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN SIRT2 2679/4885TSHR 4074/4885GAA 4253/4885
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION FH, HIRA, HNF4A SIRT2 223/4885TSHR 1790/4885GAA 1659/4885
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation FH, HIRA, HNF4A SIRT2 223/4885TSHR 1790/4885GAA 1659/4885

“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.