SCHEMBL3394424

SCHEMBL3394424

O=S(=O)(c1ccc(F)cc1)c1ccccc1CBr

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.60
MMP12 P39900 7/20 0.60
MMP13 P45452 7/20 0.60
MMP14 P50281 7/20 0.60
MMP9 P14780 6/20 0.60
MMP1 P03956 5/20 0.60
MMP3 P08254 5/20 0.60
CYP2D6 P10635 1/20 0.60
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
KCNH2 Q12809 2/20 0.47
MMP8 P22894 6/20 0.46
MMP16 P51512 6/20 0.46
HSD11B1 P28845 2/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.44
ADAM17 P78536 1/20 0.40

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
SCHEMBL8511247 0.85 HTR6 (0.52) MMP2MMP12MMP13MMP14MMP9
SCHEMBL3394732 0.83 CYP2D6 (0.83) MMP2MMP12MMP13MMP14MMP9
SCHEMBL31356940 0.83 CYP2D6 (0.46) MMP2MMP12MMP13MMP14MMP9
SCHEMBL1148229 0.81 GAA (0.44) MMP2MMP12MMP13MMP14MMP9
SCHEMBL29196139 0.77 CA1 (0.50) MMP2MMP12MMP13MMP14MMP9
SCHEMBL10355100 0.76 HSD11B1 (0.57) MMP2MMP12MMP13MMP14MMP9
SCHEMBL2474755 0.76 HTR2A (0.59) MMP2MMP12MMP13MMP14MMP9
SCHEMBL3157495 0.75 CYP2D6 (1.00) MMP2MMP12MMP13MMP14MMP9
SCHEMBL3157502 0.75 CYP2D6 (1.00) MMP2MMP12MMP13MMP14MMP9
SCHEMBL3152842 0.74 CYP2D6 (0.73) MMP2MMP12MMP13MMP14MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060026-A1 Indoles Active on CRTH2 Receptor PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2011-03-10 US disclosed
EP-2245010-A1 INDOLES ACTIVE ON CRTH2 RECEPTOR Pulmagen Therapeutics (Asthma) Limited (GB) 2010-11-03 EP disclosed
WO-2009090399-A1 INDOLES ACTIVE ON CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2009-07-23 WO 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-20110060026-A1 Indoles Active on CRTH2 Receptor ARRB1, GPR3, HRH3 MMP2 4461/4885MMP12 4334/4885MMP13 3765/4885

“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.