SCHEMBL2742902

SCHEMBL2742902

O=S(=O)(c1ccccc1)c1cc(Br)ccc1-c1ccc(Br)cc1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
MMP16 P51512 2/20 0.39
BCL2 P10415 1/20 0.37
HTR6 P50406 4/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 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
SCHEMBL229081 0.85 HTR6 (0.48) HTR6MEN1KMT2AALDH1A1MAPT
SCHEMBL2742904 0.81 HTR6 (0.40) MMP2MMP1MMP3MMP9MMP8
SCHEMBL2742908 0.81 CYP3A4 (0.48) MMP2MMP1MMP3MMP9MMP8
SCHEMBL2742905 0.76 HTR6 (0.41) MMP2MMP1MMP3MMP9MMP8
SCHEMBL226516 0.72 HTR6 (0.48) HTR6MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15270570 0.72 CA1 (0.43) BCL2PTGS1PTGS2KMT2AALDH1A1
SCHEMBL12087024 0.69 GAA (0.69) HTR6MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5253420 0.68 BCL2 (0.47) BCL2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL25797377 0.67 ALOX5 (0.46) BCL2ALDH1A1ALDH2ALDH3A1
SCHEMBL16495237 0.67 TSHR (0.45) HTR6PTGDR2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322973-A1 POLYARYLENE POLYMERS AND PROCESSES FOR PREPARING E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-20 US disclosed
US-20120302725-A1 POLYARYLENE IONOMERS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-29 US disclosed
US-20120296065-A1 POLYARYLENE IONOMERS MEMBRANES EI DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
US-20120289678-A1 METHOD OF MAKING POLYARYLENE IONOMERS AND MEMBRANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-15 US disclosed
US-20120004387-A1 POLYARYLENE POLYMERS AND PROCESSES FOR PREPARING E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-05 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 (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-20120004387-A1 POLYARYLENE POLYMERS AND PROCESSES FOR PREPARING PCBP1, PARG, PARN MMP2 4596/4885MMP1 4614/4885MMP3 4359/4885

“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.