SCHEMBL5023249

SCHEMBL5023249

O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1[C@H](O)[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](O)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PDPK1 O15530 2/20 0.54
MTOR P42345 1/20 0.54
FUCA1 P04066 1/20 0.46
CETP P11597 3/20 0.43
SMPD1 P17405 1/20 0.41
SRC P12931 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
ELANE P08246 1/20 0.39
FOLH1 Q04609 1/20 0.38
ITPR3 Q14573 3/20 0.38
ITPR2 Q14571 2/20 0.38
ITPR1 Q14643 2/20 0.38
INPP5A Q14642 1/20 0.38
INPPL1 O15357 1/20 0.38
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9874266 0.95 TSHR (0.53) TSHRPDPK1MTORFUCA1CETP
SCHEMBL13109573 0.91 PDPK1 (0.65) TSHRPDPK1MTORFUCA1CETP
SCHEMBL5830234 0.91 PDPK1 (0.65) TSHRPDPK1MTORFUCA1CETP
SCHEMBL9874053 0.89 PDPK1 (0.63) TSHRPDPK1MTORFUCA1CETP
SCHEMBL13109619 0.89 PDPK1 (0.68) TSHRPDPK1MTORFUCA1CETP
SCHEMBL4340900 0.89 PDPK1 (0.61) TSHRPDPK1MTORFUCA1CETP
SCHEMBL4345266 0.89 PDPK1 (0.61) TSHRPDPK1MTORFUCA1CETP
SCHEMBL7720528 0.87 PDPK1 (0.65) TSHRPDPK1MTORFUCA1CETP
SCHEMBL9872299 0.87 PDPK1 (0.46) TSHRPDPK1MTORFUCA1CETP
SCHEMBL14094690 0.83 PDPK1 (0.73) TSHRPDPK1MTORFUCA1CETP

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-20210361680-A1 INOSITOL-BASED IMMUNOTHERAPIES NORMOXYS INC (US) 2021-11-25 US disclosed
EP-3787634-A1 INOSITOL-BASED IMMUNOTHERAPIES NormOxys, Inc. (US) 2021-03-10 EP disclosed
US-20160067267-A1 MYO-INOSITOL TRISPYROPHOSPHATE AS AN ANTI-OBESITY AGENT NORMOXYS, INC. (US) 2016-03-10 US disclosed
EP-2968617-A1 MYO-INOSITOL TRISPYROPHOSPHATE AS AN ANTI-OBESITY AGENT NormOxys, Inc. (US) 2016-01-20 EP disclosed
WO-2015138916-A1 MYO-INOSITOL TRISPYROPHOSHATE AS AN ANTI-DIABETIC AGENT NICOLAU YVES CLAUDE (US) 2015-09-17 WO disclosed
WO-2014143939-A1 MYO-INOSITOL TRISPYROPHOSPHATE AS AN ANTI-OBESITY AGENT NORMOXYS, INC. (US) 2014-09-18 WO disclosed
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2014-06-19 US disclosed
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS UNIVERSITE DE STRASBOURG (FR) 2013-07-25 US disclosed
US-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases UNIVERSITE DE STRASBOURG (FR) 2008-08-21 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 (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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 TSHR 2294/4885PDPK1 29/4885MTOR 122/4885
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885PDPK1 55/4885MTOR 272/4885
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885PDPK1 55/4885MTOR 272/4885

“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.