SCHEMBL1497353

SCHEMBL1497353

CCOP(=O)(CC(=O)CCC(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PPARD Q03181 1/20 0.42
EGLN1 Q9GZT9 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
GABRR1 P24046 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ACE P12821 1/20 0.35

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
SCHEMBL2371044 0.83 TSHR (0.46) TSHRPPARDMAPTMAPK1FFAR3
SCHEMBL18250731 0.83 TSHR (0.55) TSHRPPARDMAPTMAPK1POLB
SCHEMBL9332124 0.82 TSHR (0.44) TSHRPPARDMAPTMAPK1POLB
SCHEMBL9077173 0.81 TSHR (0.48) TSHRPPARDKDM4EMAPTLMNA
SCHEMBL282439 0.81 TSHR (0.52) TSHRPPARDMAPTMAPK1LMNA
SCHEMBL712616 0.79 TSHR (0.50) TSHRPPARDMAPTMAPK1POLB
Hydrochloric Acid SCHEMBL15439306 0.79 TSHR (0.50) TSHRPPARDMAPTMAPK1LMNA
SCHEMBL28021215 0.79 TSHR (0.50) TSHRPPARDMAPTMAPK1LMNA
SCHEMBL2298239 0.79 TSHR (0.50) TSHRPPARDMAPTMAPK1LMNA
SCHEMBL7616579 0.78 KMT2A (0.44) TSHRPPARDMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP 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 (1 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B TSHR 4020/4885PPARD 3607/4885EGLN1 2090/4885

“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.