SCHEMBL2201341

SCHEMBL2201341

COc1ccc2[nH]cc(C3=NS(=O)(=O)c4ccccc43)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
MAP3K14 Q99558 1/20 0.45
NPC1 O15118 1/20 0.44
GPR84 Q9NQS5 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NTRK1 P04629 2/20 0.43
MAPT P10636 2/20 0.43
KDR P35968 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKD3 O94806 1/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
LTK P29376 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
SCHEMBL2207008 0.84 GAA (0.44) ALDH1A1SLC6A4MEN1KMT2AMAPT
SCHEMBL2204559 0.81 MEN1 (0.44) MAP3K14NPC1GPR84ALDH1A1CYP1A2
SCHEMBL2204923 0.81 S100A4 (0.45) GPR84CYP1A2SLC6A4CSNK1A1HTR6
SCHEMBL2204661 0.81 SIRT2 (0.44) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2202690 0.79 MAPT (0.45) MAP3K14SLC6A4MAPTHTR6
SCHEMBL2205885 0.74 DYRK1A (0.42) NPC1GPR84ALDH1A1CYP1A2MEN1
SCHEMBL5432612 0.74 GPR84 (0.66) PDE4BMAP3K14GPR84ALDH1A1CYP1A2
SCHEMBL19717689 0.72 DYRK1A (0.63) PDE4BMAP3K14GPR84ALDH1A1CYP1A2
SCHEMBL29222033 0.71 GSK3A (0.61) PDE4BMAP3K14GPR84ALDH1A1CYP1A2
SCHEMBL18392204 0.69 ABCG2 (0.57) PDE4BGPR84ALDH1A1CYP1A2CYP2C19

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 11 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
EP-1805171-A4 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-05-13 EP 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
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 US disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 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 (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 PDE4B 1313/4885MAP3K14 3080/4885NPC1 4639/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885MAP3K14 3080/4885NPC1 4639/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885MAP3K14 3080/4885NPC1 4639/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885MAP3K14 3080/4885NPC1 4639/4885

“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.