SCHEMBL2375434

SCHEMBL2375434

CC(C)(C)OC(=O)N(CCCO)S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.35
STAT5B P51692 1/20 0.35
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL2377556 0.93 F2 (0.38) F2ATMKMT2AMEN1HTT
SCHEMBL2375482 0.85 LSS (0.37) KMT2AMEN1HTTSTAT5BSSTR4
SCHEMBL1857129 0.81 STAT5B (0.46) KMT2AMEN1HTTMAPTSTAT5B
SCHEMBL1860213 0.79 ATM (0.38) F2ATMKMT2AMEN1HTT
SCHEMBL2377402 0.78 SSTR4 (0.40) STAT5BSSTR4ALDH1A1SMN1; SMN2MMP1
SCHEMBL22567698 0.75 STAT5B (0.41) F2MAPTSTAT5BALDH1A1RAB9A
SCHEMBL1862225 0.75 KMT2A (0.43) F2ATMKMT2AMEN1HTT
SCHEMBL24591935 0.74 KMT2A (0.39) F2ATMKMT2AMEN1HTT
SCHEMBL29647929 0.74 KMT2A (0.39) F2ATMKMT2AMEN1HTT
SCHEMBL22557200 0.74 F2 (0.38) F2KMT2AMEN1MAPTSTAT5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 F2 2542/4885ATM 272/4885KMT2A 2799/4885

“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.