SCHEMBL2211058

SCHEMBL2211058

COC(=O)C(C)Oc1c(Cl)ccc(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)c1-c1c(P(=O)(c2ccc(F)cc2)c2ccc(F)cc2)ccc(Cl)c1O[C@@H](C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
NOS2 P35228 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL2211060 1.00 MEN1 (0.37) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2211360 0.95 MEN1 (0.34) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2211362 0.95 MEN1 (0.34) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2211161 0.89 PPOX (0.36) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2211157 0.89 PPOX (0.36) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL2208362 0.88 KMT2A (0.39) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL2208355 0.88 KMT2A (0.39) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL2212119 0.84 KDM4E (0.34) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL2212121 0.84 KDM4E (0.34) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL4380530 0.83 KMT2A (0.35) MEN1KMT2AMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981827-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-7625443-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses LIGAND CHEMIE GMBH (DE) 2005-04-21 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-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES PHOSPHO1, AGPS, GGPS1 MEN1 618/4885KMT2A 2926/4885MAPT 3316/4885
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses PHOSPHO1, AGPS, GGPS1 MEN1 618/4885KMT2A 2926/4885MAPT 3316/4885

“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.