SCHEMBL2204480

SCHEMBL2204480

Cc1[nH]c2ccccc2c1C1=NS(=O)(=O)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
EIF2AK2 P19525 1/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 4/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 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
SCHEMBL2204552 0.86 FLT3 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2204248 0.85 MEN1 (0.46) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL2206952 0.76 GSK3B (0.45) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2204921 0.74 MAP2 (0.45) CYP1A2EIF2AK2MEN1KMT2AMAPT
SCHEMBL2206487 0.72 GSK3A (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2205225 0.70 IMPDH2 (0.43) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL8285710 0.68 ALDH1A1 (0.43) ALDH1A1LMNAHPGDGAAHTT
SCHEMBL27701196 0.67 IMPDH2 (0.65) IMPDH2CYP1A2CYP2C9EIF2AK2MEN1
SCHEMBL704586 0.67 IMPDH2 (0.55) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL21031865 0.66 PTGDR2 (0.51) ALDH1A1KDM4EGAAHTTGLA

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 IMPDH2 305/4885CYP1A2 552/4885CYP2C9 2173/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 IMPDH2 305/4885CYP1A2 552/4885CYP2C9 2173/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 IMPDH2 305/4885CYP1A2 552/4885CYP2C9 2173/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 IMPDH2 305/4885CYP1A2 552/4885CYP2C9 2173/4885

“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.