SCHEMBL4345271

SCHEMBL4345271

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
P2RY6 Q15077 5/20 0.39
P2RY2 P41231 4/20 0.39
P2RY4 P51582 4/20 0.39
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PDPK1 O15530 2/20 0.36
MTOR P42345 1/20 0.36
BTN3A1 O00481 1/20 0.36
FUCA1 P04066 1/20 0.35
SRC P12931 1/20 0.34
CETP P11597 3/20 0.34

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
SCHEMBL4338628 0.83 TSHR (0.62) TSHRP2RY6P2RY2P2RY4FNTA
SCHEMBL4232799 0.80 ITPR3 (0.31)
SCHEMBL2552260 0.80 ITPR3 (0.31)
SCHEMBL28036113 0.78 ITPR3 (0.32)
SCHEMBL29022797 0.74 ITPR3 (0.34) P2RY2P2RY4BTN3A1
SCHEMBL28555680 0.74 TSHR (0.61) TSHRFNTAFNTBPDPK1MTOR
SCHEMBL10408383 0.74 TSHR (0.66) TSHRFNTAFNTBPDPK1MTOR
SCHEMBL6749263 0.72 TSHR (0.75) TSHRFNTAFNTBPDPK1MTOR
SCHEMBL6710152 0.72 ITPR3 (0.33)
SCHEMBL544344 0.72 ITPR3 (0.37) P2RY2P2RY4BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2111226-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS Normoxys, Inc. (US) 2009-10-28 EP 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
WO-2008082658-A2 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS NORMOXYS, INC. (US) 2008-07-10 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-20080200437-A1 Polyphosphorylated inositol derivatives; allosteric effectors, cell signaling molecule analogs; hypoxia related diseases PPIP5K2, IP6K1, IP6K3 TSHR 2294/4885P2RY6 109/4885P2RY2 72/4885
US-20130190524-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885P2RY6 109/4885P2RY2 122/4885
US-20140171394-A1 CYCLITOLS AND THEIR DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS PPIP5K2, ITPA, IPMK TSHR 1898/4885P2RY6 109/4885P2RY2 122/4885

“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.