SCHEMBL2377402

SCHEMBL2377402

CC(C)(C)OC(=O)N(CCO)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
MMP7 P09237 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
STAT5B P51692 1/20 0.38
POLB P06746 1/20 0.37
PLCG1 P19174 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2375482 0.92 LSS (0.37) SSTR4SMN1; SMN2MMP13MMP1MMP7
SCHEMBL2377556 0.85 F2 (0.38) SSTR4SMN1; SMN2MMP13MMP1MMP8
SCHEMBL1858049 0.79 ALDH1A1 (0.39) SMN1; SMN2MMP13MMP1MMP8SIGMAR1
SCHEMBL2375434 0.78 F2 (0.37) SSTR4SMN1; SMN2MMP13MMP1MMP8
SCHEMBL8879054 0.76 STAT5B (0.45) STAT5BPOLBKEAP1NFE2L2ALDH1A1
SCHEMBL20451489 0.76 F2 (0.35) SSTR4SMN1; SMN2STAT5BALDH1A1
SCHEMBL22516852 0.75 PHLPP2 (0.40) SMN1; SMN2MMP13STAT5BKEAP1NFE2L2
SCHEMBL15754176 0.74 CA12 (0.48) SMN1; SMN2STAT5BALDH1A1
SCHEMBL9181881 0.74 STAT5B (0.45) SMN1; SMN2STAT5BPOLBMAOAMAOB
SCHEMBL1242268 0.74 MMP1 (0.41) MMP13MMP1MMP8ALDH1A1

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 SSTR4 4679/4885SMN1; SMN2 3098/4885MMP13 2722/4885

“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.