SCHEMBL1074359

SCHEMBL1074359

O=P(O)(O)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.46
CNR1 P21554 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SERPINE1 P05121 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL28171931 0.83 HPGD (0.51) NPSR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL28080962 0.83 MEN1 (0.51) NPSR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27564194 0.76 NR4A2 (0.46) NPSR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL11494832 0.76 NPSR1 (0.57) NPSR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2594529 0.75 NPSR1 (1.00) NPSR1ESR1ESR2ALDH1A1MEN1
SCHEMBL3929385 0.72 ESR1 (0.63) NPSR1ESR1ESR2ALDH1A1MEN1
Carbazole SCHEMBL29105374 0.72 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDKDM4E
Carbazole SCHEMBL31681675 0.72 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL17559719 0.72 MEN1 (0.65) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9285018 0.70 ESR1 (0.42) ESR1ESR2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884825-A Method for synthesizing indole-3-phosphonate 南京林业大学 2016-08-24 CN disclosed
EP-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8470870-B2 Solid forms of an anti-HIV phosphoindole compound IDENIX PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20110039803-A1 SOLID FORMS OF AN ANTI-HIV PHOSPHOINDOLE COMPOUND IDENIX PHARMACEUTICALS, INC. 2011-02-17 US disclosed
EP-2276771-A1 SOLID FORMS OF AN ANTI-HIV PHOSPHOINDOLE COMPOUND IDENIX Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009124175-A1 FORMULATIONS COMPRISING A PHOSPHOINDOLE COMPOUND AND ONE OR MORE SECOND ACTIVE AGENTS IDENIX PHARMACEUTICALS, INC. (US) 2009-10-08 WO disclosed
WO-2009120914-A1 SOLID FORMS OF AN ANTI-HIV PHOSPHOINDOLE COMPOUND IDENIX PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 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 (3 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C NPSR1 4070/4885ESR1 3562/4885ESR2 4099/4885
US-20110039803-A1 SOLID FORMS OF AN ANTI-HIV PHOSPHOINDOLE COMPOUND PSPH, PPP5C, PPIP5K2 NPSR1 3372/4885ESR1 2716/4885ESR2 3311/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C NPSR1 4070/4885ESR1 3562/4885ESR2 4099/4885

“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.