SCHEMBL2204559

SCHEMBL2204559

O=S1(=O)N=C(c2c[nH]c3ccc(Cl)cc23)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAP3K14 Q99558 2/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 1/20 0.40
SLC6A4 P31645 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL2205885 0.90 DYRK1A (0.42) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2204923 0.85 S100A4 (0.45) CYP1A2SLC6A4HTR2AHTR1AHTR7
SCHEMBL2207008 0.85 GAA (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2204661 0.84 SIRT2 (0.44) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL2201341 0.81 PDE4B (0.47) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL2204921 0.77 MAP2 (0.45) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL2200948 0.75 GPR84 (0.40) MEN1KMT2AMAPTALDH1A1SLC6A4
SCHEMBL20846068 0.71 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL7640758 0.71 MAOB (0.43) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL9273186 0.70 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1CYP1A2

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 MEN1 3310/4885KMT2A 3163/4885MAPT 4582/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MEN1 3310/4885KMT2A 3163/4885MAPT 4582/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MEN1 3310/4885KMT2A 3163/4885MAPT 4582/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MEN1 3310/4885KMT2A 3163/4885MAPT 4582/4885

“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.