SCHEMBL2206952

SCHEMBL2206952

Cc1ccc2[nH]c(C)c(C3=NS(=O)(=O)c4ccccc43)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
FLT3 P36888 1/20 0.45
GSK3A P49840 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HSD17B10 Q99714 6/20 0.43
GAA P10253 4/20 0.43
HTT P42858 3/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL2204552 0.88 FLT3 (0.43) GSK3BFLT3GSK3AMEN1KMT2A
SCHEMBL2204921 0.88 MAP2 (0.45) GSK3BFLT3GSK3AMEN1KMT2A
SCHEMBL2204248 0.87 MEN1 (0.46) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL2207008 0.79 GAA (0.44) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL2204480 0.76 IMPDH2 (0.40) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL2206487 0.71 GSK3A (0.44) GSK3BCDK5CDK5R1FLT3GSK3A
SCHEMBL28068111 0.70 GAA (0.56) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL7638472 0.70 GAA (0.48) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL2205225 0.69 IMPDH2 (0.43) GSK3BCDK5CDK5R1GSK3AMEN1
SCHEMBL3981072 0.69 KDM4E (0.65) MEN1KMT2AHSD17B10GAAHTT

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 GSK3B 2899/4885CDK5 1057/4885CDK5R1 548/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 GSK3B 2899/4885CDK5 1057/4885CDK5R1 548/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 GSK3B 2899/4885CDK5 1057/4885CDK5R1 548/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 GSK3B 2899/4885CDK5 1057/4885CDK5R1 548/4885

“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.