SCHEMBL10344635

SCHEMBL10344635

OP(O)(=S)O[C@H]1[C@H](OP(O)(O)=S)[C@@H](OP(O)(O)=S)[C@H](OP(O)(O)=S)[C@@H](OP(O)(O)=S)[C@H]1OP(O)(O)=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ INPP5A Q14642 1/20 0.50
▸ ITPR3 Q14573 6/20 0.36
▸ ITPR2 Q14571 2/20 0.35
▸ ITPR1 Q14643 2/20 0.35
▸ INPPL1 O15357 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ SMPD1 P17405 1/20 0.32

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
SCHEMBL10344992 0.87 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10345051 0.87 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414309 0.85 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414284 0.83 INPP5A (0.70) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10345151 0.81 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL1403803 0.81 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414291 0.78 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL4456065 0.78 INPP5A (0.78) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414301 0.78 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL8460802 0.78 INPP5A (0.78) INPP5AITPR3ITPR2ITPR1INPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 — — EP claimed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 — — WO claimed
US-9200015-B2 Inositol hexakisphosphate analogs and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2015-12-01 — — US disclosed
US-20140045799-A1 INOSITOL HEXAKISPHOSPHATE ANALOGS AND USES THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-13 — — US disclosed
US-20120258936-A1 INOSITOL HEXAKISPHOSPHATE ANALOGS AND USES THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-11 — — US disclosed
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 — — EP disclosed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 — — 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 (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-20120258936-A1 INOSITOL HEXAKISPHOSPHATE ANALOGS AND USES THEREOF ITPA, PPIP5K2, IP6K1 INPP5A 15/4885ITPR3 9/4885ITPR2 5/4885
US-20140045799-A1 INOSITOL HEXAKISPHOSPHATE ANALOGS AND USES THEREOF ITPA, PPIP5K2, IP6K1 INPP5A 15/4885ITPR3 9/4885ITPR2 5/4885

“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.

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