Methane

Methane

SCHEMBL3421099

C.O=C(O)c1ccc(N(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
SRD5A2 P31213 4/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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 SCHEMBL10783749 0.78 MEN1 (0.52) TSHRCA1CA2MEN1KMT2A
SCHEMBL3421096 0.77 CA1 (0.46) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL7175787 0.77 TSHR (0.75) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL9242726 0.74 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL28157425 0.74 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
SCHEMBL4335756 0.73 CA12 (0.40) CA1CA2MEN1NPC1KMT2A
SCHEMBL2029621 0.72 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL22972761 0.72 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL17040204 0.72 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL915095 0.71 ALDH1A1 (0.41) TSHRCA1CA2MEN1NPC1

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-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO claimed
WO-2004089356-A2 TARGETED BONE MARROW PROTECTION AGENTS 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 TSHR 4135/4885TP53 555/4885SRD5A2 4477/4885
US-20040198783-A1 Targeted bone marrow protection agents APAF1, BST2, MCL1 TSHR 4135/4885TP53 555/4885SRD5A2 4477/4885
US-20050203173-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B TSHR 3974/4885TP53 937/4885SRD5A2 4788/4885
US-20040242631-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B TSHR 3974/4885TP53 937/4885SRD5A2 4788/4885

“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.