SCHEMBL3670384

SCHEMBL3670384

COc1cc(OC(C)C)ccc1C=N[S@@+]([O-])C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
CYP1A2 P05177 7/20 0.39
CYP1A1 P04798 5/20 0.39
CYP1B1 Q16678 5/20 0.39
AMY1A P0DUB6 1/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4235697 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL3670385 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL4235695 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL4239996 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL24838120 0.79 MEN1 (0.40) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL25602587 0.79 MEN1 (0.40) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL29792722 0.79 MEN1 (0.40) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL30594492 0.79 MEN1 (0.40) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL25403243 0.79 LMNA (0.39) ALDH1A1KDM4ELMNAGAAGRIN2D
SCHEMBL23522104 0.75 GRIN2D (0.46) ALDH1A1KDM4ELMNAGAAGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ALDH1A1 245/4885KDM4E 2693/4885LMNA 4019/4885

“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.