SCHEMBL3936037

SCHEMBL3936037

O=S(O)c1ccc(OC(F)F)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
GFER P55789 1/20 0.46
ADAM17 P78536 1/20 0.46
DRD1 P21728 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 4/20 0.42
ATM Q13315 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.42
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
TEAD4 Q15561 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL13948945 0.98 ALOX15 (0.47) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL615339 0.78 DRD1 (0.43) ALOX15GFERADAM17DRD1MEN1
SCHEMBL15866120 0.78 KMT2A (0.52) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3936033 0.76 DRD1 (0.43) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL10344359 0.76 DRD1 (0.44) ALOX15GFERADAM17DRD1MEN1
SCHEMBL11859127 0.75 CA1 (0.33) HPGD
SCHEMBL11065049 0.75 DRD1 (0.56) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL2236991 0.73 KMT2A (0.43) ALDH1A1MEN1KMT2AHTTHPGD
SCHEMBL357933 0.72 CA1 (0.50) ALDH1A1PKMMAPK1NPC1RAB9A
SCHEMBL9153089 0.72 CA1 (0.36) ALDH1A1HPGD

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-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ALOX15 1065/4885GFER 4837/4885ADAM17 3740/4885

“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.