SCHEMBL3394732

SCHEMBL3394732

O=S(=O)(c1ccc(F)cc1)c1ccccc1CO

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.83
MMP2 P08253 8/20 0.64
MMP12 P39900 8/20 0.64
MMP13 P45452 8/20 0.64
MMP14 P50281 8/20 0.64
MMP9 P14780 7/20 0.64
MMP1 P03956 6/20 0.64
MMP3 P08254 6/20 0.64
MMP8 P22894 6/20 0.50
MMP16 P51512 6/20 0.50
HSD11B1 P28845 2/20 0.49
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
KCNH2 Q12809 2/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 1/20 0.44
COMT P21964 1/20 0.43

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
SCHEMBL3157495 0.91 CYP2D6 (1.00) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL3157502 0.91 CYP2D6 (1.00) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL710752 0.85 CYP2D6 (0.62) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL3394424 0.83 MMP2 (0.60) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL22652932 0.83 CYP2D6 (0.60) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL31356941 0.83 CYP2D6 (0.60) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL4434908 0.81 CYP2D6 (0.56) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL3157307 0.79 CYP2D6 (0.80) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL3157305 0.79 CYP2D6 (0.80) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL3158159 0.79 CYP2D6 (0.77) CYP2D6MMP2MMP12MMP13MMP14

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 CYP2D6 1838/4885MMP2 4461/4885MMP12 4334/4885

“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.