SCHEMBL2454872

SCHEMBL2454872

CCCCOc1cccc(C(=O)OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CYP1A2 P05177 4/20 0.46
GRM5 P41594 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PLA2G2A P14555 1/20 0.43
MAPK8 P45983 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPL P05186 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18254258 0.92 MAPT (0.48) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL22835389 0.87 MAPT (0.46) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL18481758 0.86 MAPT (0.48) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL18246250 0.86 MAPT (0.48) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL18254259 0.86 MAPK8 (0.56) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL22835588 0.85 MAPT (0.45) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL2460027 0.84 KDM4E (0.50) MAPTCYP1A2SMN1; SMN2TP53GAA
SCHEMBL22835404 0.84 MAPT (0.44) MAPTCYP1A2GRM5SMN1; SMN2NPC1
SCHEMBL3133224 0.83 OPRM1 (0.43) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL2270674 0.83 KDM4E (0.48) MAPTCYP1A2SMN1; SMN2TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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 (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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MAPT 4043/4885CYP1A2 374/4885GRM5 1621/4885

“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.