SCHEMBL613185

SCHEMBL613185

O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 7/20 0.56
ITPR2 Q14571 3/20 0.54
ITPR1 Q14643 3/20 0.54
INPPL1 O15357 1/20 0.54
AKT1 P31749 1/20 0.54
SMPD1 P17405 1/20 0.52
INPP5A Q14642 3/20 0.48
FDPS P14324 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29869445 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6710149 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3498450 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL29602097 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL30629453 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6708568 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3500008 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL30713458 1.00 ITPR3 (0.56) ITPR3ITPR2ITPR1INPPL1AKT1
Scyllitol SCHEMBL5997336 0.91 ITPR3 (0.64) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4343592 0.91 ITPR3 (0.74) ITPR3ITPR2ITPR1INPPL1AKT1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197875-A1 ENGINEERED PLANTS HAVING MODIFIED INOSITOL PYROPHOSPHATES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2025-06-19 US claimed
US-20250127768-A1 THERAPEUTIC TARGETING OF INOSITOL PYROPHOSPHATE SYNTHESIS IN CANCER THE BROAD INSTITUTE, INC. (US) 2025-04-24 US claimed
WO-2024006972-A1 THERAPEUTIC TARGETING OF INOSITOL PYROPHOSPHATE SYNTHESIS IN CANCER THE BROAD INSTITUTE, INC. (US) 2024-01-04 WO claimed
WO-2023178098-A2 ENGINEERED PLANTS HAVING MODIFIED INOSITOL PYROPHOSPHATES VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 2023-09-21 WO claimed
CN-116298235-A Serum metabolism biomarker for diagnosing or monitoring breast cancer and screening method thereof 哈尔滨医科大学 2023-06-23 CN claimed
US-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INST INC (US) 2025-11-13 US disclosed
US-20250197396-A1 COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. 2025-06-19 US disclosed
US-20250197875-A1 ENGINEERED PLANTS HAVING MODIFIED INOSITOL PYROPHOSPHATES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2025-06-19 US disclosed
US-20250127768-A1 THERAPEUTIC TARGETING OF INOSITOL PYROPHOSPHATE SYNTHESIS IN CANCER THE BROAD INSTITUTE, INC. (US) 2025-04-24 US disclosed
EP-4539838-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF Lieber Institute, Inc. (US) 2025-04-23 EP disclosed
US-20240271122-A1 METHODS FOR CODON OPTIMIZATION AND USES THEREOF OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-08-15 US disclosed
US-20240226165-A1 Methods of Producing Improved Immune Cell Populations Prescient Therapeutics Ltd (AU) 2024-07-11 US disclosed
EP-1471934-A2 KINASES INVOLVED IN THE REGULATION OF ENERGY HOMEOSTASIS DeveloGen Aktiengesellschaft für entwicklungsbiologische Forschung (DE) 2004-11-03 EP disclosed
US-20040110939-A1 Complementary DNAs encoding proteins with signal peptides GENSET, S.A. (FR) 2004-06-10 US disclosed
US-20040029130-A1 Drug screening systems and assays CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-02-12 US disclosed
WO-2003066087-A2 KINASES INVOLVED IN THE REGULATION OF ENERGY HOMEOSTASIS DEVELOPGEN AKTIENGESELLSCHAFT FÜR ENTWICKLUNGSBIOLOGISCHE FORSCHUNG (DE) 2003-08-14 WO disclosed
US-20030144490-A1 Extended cDNAs for secreted proteins SERONO GENETICS INSTITUTE S.A. (FR) 2003-07-31 US disclosed
US-6573068-B1 Purified and isolated polypeptide of given amino acid sequence; cDNA can be used to express it or to obtain antibodies that specifically bind to it GENSET, S. A. (FR) 2003-06-03 US disclosed
EP-1283903-A1 DRUG SCREENING SYSTEMS AND ASSAYS Cancer Research Technology Limited (GB) 2003-02-19 EP disclosed
WO-2001090404-A1 DRUG SCREENING SYSTEMS AND ASSAYS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2001-11-29 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 (4 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-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF IP6K1, IP6K2, IP6K3 ITPR3 186/4885ITPR2 173/4885ITPR1 139/4885
US-20030144490-A1 Extended cDNAs for secreted proteins DNASE1L3, DNAJC10, PRSS12 ITPR3 4294/4885ITPR2 4489/4885ITPR1 4573/4885
US-20250127768-A1 THERAPEUTIC TARGETING OF INOSITOL PYROPHOSPHATE SYNTHESIS IN CANCER PPIP5K2, IP6K1, IP6K2 ITPR3 63/4885ITPR2 59/4885ITPR1 37/4885
US-20250197396-A1 COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF IP6K1, IP6K2, IP6K3 ITPR3 172/4885ITPR2 152/4885ITPR1 127/4885

“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.