SCHEMBL309240

SCHEMBL309240

CS(=O)(=O)c1cc(Br)cc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
AR P10275 5/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PTGER1 P34995 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL309316 0.86 BRD4 (0.54) MAOBNPC1RAB9ASMN1; SMN2CA12
SCHEMBL22070565 0.81 SMN1; SMN2 (0.48) MAOBARNPC1HPGDRAB9A
SCHEMBL10046165 0.81 MAOB (0.72) MAOBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL308991 0.81 MAOB (0.72) MAOBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16064448 0.78 LOX (0.48) MAOBSMN1; SMN2CA12CA1CA2
SCHEMBL11266317 0.78 CA12 (0.70) MAOBARNPC1HPGDRAB9A
SCHEMBL24855373 0.77 PTGER1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1887354 0.77 MAOB (0.62) MAOBCA12CA1CA2CA7
SCHEMBL4073348 0.76 MAOB (0.62) MAOBMEN1KMT2A
SCHEMBL7743406 0.76 MAOB (0.67) MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S MAOB 112/4885AR 4062/4885NPC1 639/4885

“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.