SCHEMBL4022249

SCHEMBL4022249

O=C(O)c1conc1-c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
PTPN1 P18031 8/20 0.35
PTGS2 P35354 2/20 0.35
PTPRF P10586 2/20 0.34
PTPN2 P17706 2/20 0.34
IDO1 P14902 2/20 0.34
PTPRC P08575 3/20 0.33
CDC25A P30304 2/20 0.33
CDC25B P30305 2/20 0.33
PPP1CC P36873 2/20 0.33
CDC25C P30307 1/20 0.33
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL4024790 0.84 ALDH1A1 (0.45) PTGS2POLBTDP1KMT2A
SCHEMBL1225673 0.84 PTGS2 (0.44) PTPN1PTGS2KDM4EPOLBKMT2A
SCHEMBL2929499 0.83 CDH1 (0.46) PTPN1KDM4EMAPK14KMT2ACTNNB1
SCHEMBL402939 0.83 ALDH1A1 (0.46) KDM4EPOLBTDP1KMT2A
SCHEMBL1776666 0.83 MAPK13 (0.49) PTGS2KDM4EMAPK13MAPK12MAPK11
SCHEMBL27934992 0.82 PTGS2 (0.43) PTPN1PTGS2KDM4EPOLBKMT2A
SCHEMBL4024687 0.81 SLC6A4 (0.39) PTPN1KDM4EPOLBKMT2A
SCHEMBL25778929 0.81 MAPK14 (0.46) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL15776026 0.79 SLC22A12 (0.39)
SCHEMBL8167740 0.79 RAB9A (0.49) PTPN1PTPRFPTPRCCDC25ACDC25B

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
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 TPMT 3385/4885PTPN1 264/4885PTGS2 1917/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 TPMT 3385/4885PTPN1 264/4885PTGS2 1917/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 TPMT 3385/4885PTPN1 264/4885PTGS2 1917/4885

“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.