SCHEMBL2375482

SCHEMBL2375482

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.37
SSTR4 P31391 1/20 0.37
STAT5B P51692 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
PLCG1 P19174 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2377402 0.92 SSTR4 (0.40) SSTR4STAT5BSMN1; SMN2MMP1MMP7
SCHEMBL2375434 0.85 F2 (0.37) SSTR4STAT5BSMN1; SMN2RAB9AMEN1
SCHEMBL8879054 0.80 STAT5B (0.45) STAT5BMEN1KMT2AKEAP1NFE2L2
SCHEMBL1242269 0.79 TBXA2R (0.36) MEN1KMT2AMMP1MMP8MMP13
SCHEMBL2377556 0.78 F2 (0.38) SSTR4STAT5BSMN1; SMN2RAB9AMEN1
SCHEMBL9181881 0.77 STAT5B (0.45) STAT5BSMN1; SMN2RAB9AMAOAMAOB
SCHEMBL1858049 0.76 ALDH1A1 (0.39) SMN1; SMN2RAB9ANPC1RECQLMEN1
SCHEMBL9178323 0.76 STAT5B (0.44) STAT5BKEAP1NFE2L2ALDH1A1TP53
SCHEMBL1241389 0.76 LSS (0.40) LSSSSTR4SMN1; SMN2RAB9ANPC1
SCHEMBL20451489 0.74 F2 (0.35) SSTR4STAT5BSMN1; SMN2RAB9AALDH1A1

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 LSS 1497/4885SSTR4 4679/4885STAT5B 114/4885

“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.