SCHEMBL3421096

SCHEMBL3421096

COP(=O)(O)N(c1ccc(C(=O)O)cc1)P(=O)(O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SRD5A2 P31213 2/20 0.39
RXRA P19793 1/20 0.39
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TPMT P51580 2/20 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
Methane SCHEMBL3421099 0.77 TSHR (0.50) CA1CA2TSHRTP53KMT2A
Terephthalic Acid SCHEMBL28295430 0.74 CA1 (0.58) CA1CA2TSHRTP53KMT2A
Terephthalic Acid SCHEMBL28295429 0.74 CA1 (0.58) CA1CA2TSHRTP53KMT2A
SCHEMBL28351298 0.72 CA1 (0.50) CA1CA2TSHRTP53KMT2A
Methoxymethane SCHEMBL18579214 0.71 NPC1 (0.69) CA1CA2TSHRTP53KMT2A
SCHEMBL28237197 0.71 CA1 (0.54) CA1CA2TSHRTP53KMT2A
Terephthalic Acid SCHEMBL7175787 0.71 TSHR (0.75) CA1CA2TSHRTP53ALDH1A1
Terephthalic Acid SCHEMBL11164993 0.71 TSHR (0.75) CA1CA2TSHRTP53KMT2A
SCHEMBL21490302 0.69 CA1 (0.52) CA1CA2TSHRTP53KMT2A
Phosphoric Acid Monomethyl Ester SCHEMBL9440650 0.69 XDH (0.53) CA1CA2TSHRTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108704-A1 O-ALKYLATED PI-3 KINASE INHIBITOR PRODRUG COMBINATION SEMAFORE PHARMACEUTICALS, INC. (US) 2009-09-03 WO claimed
US-20090011975-A1 TARGETED BONE MARROW PROTECTION AGENTS SEMAFORE PHARMACEUTICALS INC. (US) 2009-01-08 US claimed
EP-1615639-A2 TARGETED BONE MARROW PROTECTION AGENTS Semafore Pharmaceuticals, Inc. (US) 2006-01-18 EP claimed
EP-1611119-A1 PI-3 KINASE INHIBITOR PRODRUGS Semafore Pharmaceuticals, Inc. (US) 2006-01-04 EP claimed
US-6949537-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2005-09-27 US claimed
US-20040242631-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2004-12-02 US claimed
WO-2004089356-A2 TARGETED BONE MARROW PROTECTION AGENTS SEMAFORE PHARMACEUTICALS INC. (US) 2004-10-21 WO claimed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO claimed
US-20040198783-A1 Targeted bone marrow protection agents SEMAFORE PHARMACEUTICALS INC. 2004-10-07 US claimed
US-20190309039-A1 CRYPTIC POLYPEPTIDES AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2019-10-10 US disclosed
US-10323074-B2 Cryptic polypeptides and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2019-06-18 US disclosed
US-20180215801-A1 CRYPTIC POLYPEPTIDES AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2018-08-02 US disclosed
US-20180170987-A1 CRYPTIC POLYPEPTIDES AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2018-06-21 US disclosed
EP-3250588-A1 CRYPTIC POLYPEPTIDES AND USES THEREOF Board of Trustees of Michigan State University (US) 2017-12-06 EP disclosed
US-6949537-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2005-09-27 US disclosed
US-20050203173-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2005-09-15 US disclosed
US-20040242631-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2004-12-02 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
WO-2004089345-A1 BONE TARGETING OF BIODEGRADABLE DRUG-CONTAINING NANOPARTICLES SEMAFORE PHARMACEUTICALS INC. (US) 2004-10-21 WO disclosed
US-20040198783-A1 Targeted bone marrow protection agents SEMAFORE PHARMACEUTICALS INC. 2004-10-07 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 (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-20090011975-A1 TARGETED BONE MARROW PROTECTION AGENTS APAF1, BST2, MCL1 CA1 1167/4885CA2 3222/4885TSHR 4135/4885
US-20040198783-A1 Targeted bone marrow protection agents APAF1, BST2, MCL1 CA1 1167/4885CA2 3222/4885TSHR 4135/4885
US-20050203173-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B CA1 3274/4885CA2 3336/4885TSHR 3974/4885
US-20040242631-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B CA1 3274/4885CA2 3336/4885TSHR 3974/4885

“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.