SCHEMBL3020529

SCHEMBL3020529

Cc1cc(C)cc(Oc2cc3c(OC(=O)C(F)(F)F)c[nH]c3cc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.36
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
IDH1 O75874 1/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
USP2 O75604 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3020523 0.78 KMT2A (0.41) TDO2KMT2AALDH1A1PDK1PDK2
SCHEMBL2821006 0.73 KMT2A (0.47) TDO2KMT2AALDH1A1BRD4BRD2
SCHEMBL2821721 0.72 KMT2A (0.51) KMT2AALDH1A1IDH1BRD4BRD2
SCHEMBL2818870 0.72 ALDH1A1 (0.46) KMT2AALDH1A1PDK1PDK2PDK3
SCHEMBL2821673 0.71 KMT2A (0.54) KMT2AALDH1A1PDK1PDK2PDK3
SCHEMBL2821764 0.71 PKM (0.57) KMT2AALDH1A1PDK1PDK2PDK3
SCHEMBL2823333 0.71 ALDH1A1 (0.59) KMT2AALDH1A1BRD4BRD2BRD3
SCHEMBL2822066 0.70 KMT2A (0.44) KMT2AALDH1A1PDK1PDK2PDK3
SCHEMBL2820403 0.70 KMT2A (0.54) KMT2AALDH1A1PDK2BRD4BRD2
SCHEMBL2821664 0.70 ALDH1A1 (0.49) KMT2AALDH1A1BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242118-B2 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2010-08-12 US disclosed
US-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
US-20050070582-A1 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders BAYER HEALTHCARE AG (DE) 2005-03-31 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 (2 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-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS CCR3, CCR1, CCR2 TDO2 2053/4885KMT2A 2753/4885ALDH1A1 2416/4885
US-20050070582-A1 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders CCR3, CCR1, CCR2 TDO2 2053/4885KMT2A 2753/4885ALDH1A1 2416/4885

“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.