SCHEMBL22337157

SCHEMBL22337157

O=S(=O)(CCC1CCCCCCC1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.56
POLB P06746 3/20 0.54
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PLCG1 P19174 1/20 0.48
KMT2A Q03164 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRK2 P25098 1/20 0.39
HSD11B1 P28845 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL21609725 1.00 CTDSP1 (0.56) CTDSP1POLBMAPK1HTTPLCG1
SCHEMBL22289434 0.82 PLCG1 (0.55) CTDSP1POLBMAPK1HTTPLCG1
SCHEMBL11775347 0.82 LMNA (0.50) CTDSP1MAPK1HTTKMT2AALDH1A1
SCHEMBL6825855 0.81 ALDH1A1 (0.56) MAPK1KMT2AALDH1A1NPC1MEN1
SCHEMBL11774952 0.80 LMNA (0.47) MAPK1HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6624619 0.76 SIGMAR1 (0.57) POLBMAPK1HTTKMT2AHDAC3
SCHEMBL2413925 0.74 PLCG1 (0.59) CTDSP1POLBMAPK1HTTPLCG1
SCHEMBL7459127 0.74 ALDH1A1 (0.61) MAPK1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31568130 0.74 POLB (0.57) POLBKMT2AALDH1A1GAATSHR
SCHEMBL7787695 0.73 KMT2A (0.52) POLBKMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM PHOSPHONICS LTD (GB) 2020-08-13 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-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM MSR1, NOC2L, GFRA2 CTDSP1 515/4885POLB 776/4885MAPK1 3846/4885

“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.