SCHEMBL2575771

SCHEMBL2575771

COc1c(F)cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2OCc2ccccc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 1/20 0.40
CD4 P01730 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AR P10275 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PKM P14618 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL2581381 0.84 MAPT (0.49) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2581772 0.81 MAPT (0.66) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2577846 0.80 MAPT (0.59) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1383980 0.79 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL6532739 0.79 MAPT (0.53) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1386508 0.78 MAPT (0.49) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2579455 0.78 MAPT (0.50) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1385307 0.75 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2578324 0.75 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2575601 0.75 MAPT (0.51) MAPTSMN1; SMN2TSHRLMNAALDH1A1

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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US claimed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 MAPT 3962/4885SMN1; SMN2 2169/4885TSHR 158/4885

“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.