SCHEMBL2204552

SCHEMBL2204552

Cc1[nH]c2ccc(F)cc2c1C1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
PTGS2 P35354 1/20 0.39
CSF1R P07333 1/20 0.39
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAP2 P11137 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2206952 0.88 GSK3B (0.45) FLT3GSK3AGSK3BPTGS2HTT
SCHEMBL2204480 0.86 IMPDH2 (0.40) PTGS2HTTGAAKDM4EALDH1A1
SCHEMBL2204921 0.86 MAP2 (0.45) FLT3GSK3AGSK3BHTR2AHTR2C
SCHEMBL2204248 0.85 MEN1 (0.46) HTR2AHTR2CHTR6HTTGAA
SCHEMBL2206487 0.84 GSK3A (0.44) FLT3GSK3AGSK3BHTR2AHTR2C
SCHEMBL21031865 0.78 PTGDR2 (0.51) FLT3GSK3AGSK3BHTR2AHTR2C
SCHEMBL21031878 0.72 PTGDR2 (0.45) FLT3GSK3AGSK3BHTR2AHTR2C
SCHEMBL27681973 0.70 PTGS2 (0.59) HTR2AHTR2CHTR7HTR6PTGS2
SCHEMBL13463019 0.70 GAA (0.36) HTTGAAKDM4EALDH1A1LMNA
SCHEMBL13440435 0.70 CYP2C9 (0.48) KDM4EALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US disclosed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US disclosed
US-7601749-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-10-13 US disclosed
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2009-04-30 US disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 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 (4 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-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof PTGDR2, TBXA2R, HCAR2 FLT3 3892/4885GSK3A 2620/4885GSK3B 2899/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 FLT3 3892/4885GSK3A 2620/4885GSK3B 2899/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 FLT3 3892/4885GSK3A 2620/4885GSK3B 2899/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 FLT3 3892/4885GSK3A 2620/4885GSK3B 2899/4885

“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.