SCHEMBL5962714

SCHEMBL5962714

CCOP(=O)(O)C(C)(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7490235 0.82 TSHR (0.37) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL6579016 0.81 TSHR (0.40) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL98778 0.78 PPARD (0.38) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL98777 0.77 TSHR (0.40) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL11330355 0.77 GAA (0.32) TSHRSMN1; SMN2
SCHEMBL2640685 0.76 LMNA (0.38) TSHRALDH1A1
SCHEMBL4637563 0.74 PPARD (0.35) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL4550022 0.73 PPARD (0.38) PPARDTSHRSMN1; SMN2TP53TDP1
SCHEMBL6623038 0.73 PPARD (0.38) PPARDTSHRTP53TDP1CA12
SCHEMBL9115357 0.73 TSHR (0.46) PPARDTSHRTP53TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
EP-2968336-A2 COMBINATION OF AN EGFR T790M INHIBITOR AND AN EGFR INHIBITOR FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER Pfizer Inc. (US) 2016-01-20 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
WO-2014140989-A2 COMBINATION OF AN EGFR T790M INHIBITOR AND AN EGFR INHIBITOR FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER PFIZER INC. (US) 2014-09-18 WO disclosed
EP-2758402-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES Pfizer Inc (US) 2014-07-30 EP disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 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 (3 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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS PPARD 3175/4885TSHR 1585/4885SMN1; SMN2 2215/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS PPARD 3175/4885TSHR 1585/4885SMN1; SMN2 2215/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 PPARD 2971/4885TSHR 765/4885SMN1; SMN2 2936/4885

“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.