SCHEMBL452334

SCHEMBL452334

O=P(O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 8/20 0.90
▸ ITPR2 Q14571 4/20 0.90
▸ ITPR1 Q14643 4/20 0.90
▸ INPP5A Q14642 3/20 0.90
▸ SMPD1 P17405 1/20 0.89
▸ INPPL1 O15357 1/20 0.80
▸ AKT1 P31749 1/20 0.80

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
SCHEMBL29165997 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL9872231 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL4754501 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL1149378 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL15762968 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12871334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL5003539 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12858863 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL113868 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL14396732 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151930-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2024-07-18 — — WO disclosed
EP-4399196-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-07-17 — — EP disclosed
EP-4370124-A1 PI3Ka INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-05-22 — — EP disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 — — WO disclosed
US-20240066034-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-02-29 — — US disclosed
US-20240043390-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-08 — — US disclosed
WO-2024026391-A1 DIFFERENTIATION OF STEM CELLS IN SUSPENSION CULTURE UMOJA BIOPHARMA, INC. (US) 2024-02-01 — — WO disclosed
US-20240016808-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2024-01-18 — — US disclosed
US-20230405011-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2023-12-21 — — US disclosed
WO-2023240248-A2 COMPOSITIONS AND METHODS FOR NK CELL DIFFERENTIATION UMOJA BIOPHARMA, INC. (US) 2023-12-14 — — WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 — — US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 — — WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 — — WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — WO disclosed
EP-1383916-A4 TRAC1: MODULATORS OF LYMPHOCYTE ACTIVATION RIGEL PHARMACEUTICALS INC (US) 2006-04-19 — — EP disclosed
EP-1412745-A4 EDG : MODULATORS OF LYMPHOCYTE ACTIVATION AND MIGRATION RIGEL PHARMACEUTICALS INC (US) 2005-01-19 — — EP disclosed
EP-1412745-A2 EDG : MODULATORS OF LYMPHOCYTE ACTIVATION AND MIGRATION Rigel Pharmaceuticals, Inc. (US) 2004-04-28 — — EP disclosed
EP-1383916-A2 TRAC1: MODULATORS OF LYMPHOCYTE ACTIVATION Rigel Pharmaceuticals, Inc. (US) 2004-01-28 — — EP disclosed
WO-2002085290-A2 EDG : MODULATORS OF LYMPHOCYTE ACTIVATION AND MIGRATION RIGEL PHARMACEUTICALS, INC. (US) 2002-10-31 — — WO disclosed
WO-2002081730-A2 TRAC1: MODULATORS OF LYMPHOCYTE ACTIVATION RIGEL PHARMACEUTICALS, INC. (US) 2002-10-17 — — 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-20230405011-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER MTOR, CDK4, MAPKAP1 ITPR3 2990/4885ITPR2 2681/4885ITPR1 2983/4885
US-20240016808-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER MTOR, CDK4, MAPKAP1 ITPR3 2990/4885ITPR2 2681/4885ITPR1 2983/4885
US-20240043390-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 ITPR3 4486/4885ITPR2 4531/4885ITPR1 4378/4885
US-20240066034-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER MTOR, CDK4, MAPKAP1 ITPR3 2990/4885ITPR2 2681/4885ITPR1 2983/4885

“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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