SCHEMBL8897329

SCHEMBL8897329

CN1[C@@H]2CCCC[C@H]2N(C)P1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8897336 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL8947056 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL8947051 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL13698843 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL25971659 0.67
SCHEMBL20109314 0.67 KDM4E (0.30) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL19367682 0.67 KDM4E (0.30) ALDH1A1KDM4EHSD17B10GAAPKM
SCHEMBL25971758 0.66 GAA (0.30) GAAPKMTDP1
SCHEMBL25971787 0.66 GAA (0.30) GAAPKMTDP1
SCHEMBL25971812 0.66 GAA (0.30) GAAPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF (US) 2019-01-31 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
US-5618964-A Prodrug esters of phosphonosulfonate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885KDM4E 3603/4885HSD17B10 4053/4885
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 ALDH1A1 4739/4885KDM4E 3835/4885HSD17B10 4619/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885KDM4E 3603/4885HSD17B10 4053/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 ALDH1A1 4739/4885KDM4E 3835/4885HSD17B10 4619/4885

“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.