SCHEMBL5560406

SCHEMBL5560406

CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
HTT P42858 1/20 1.00
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 2/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL3724007 0.96 ALDH1A1 (0.92) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL6962263 0.84 ALDH1A1 (0.72) ALDH1A1HTTTSHRL3MBTL1MAPT
SCHEMBL15648472 0.84 ALDH1A1 (0.72) ALDH1A1HTTTSHRL3MBTL1MAPT
SCHEMBL1385016 0.84 ALDH1A1 (0.72) ALDH1A1HTTMAPTRAB9ASMN1; SMN2
SCHEMBL2977278 0.84 ALDH1A1 (0.72) ALDH1A1HTTMAPTRAB9ASMN1; SMN2
SCHEMBL3717708 0.83 ALDH1A1 (0.71) ALDH1A1HTTTSHRMAPTSMN1; SMN2
SCHEMBL3710420 0.83 ALDH1A1 (0.71) ALDH1A1HTTTSHRMAPTSMN1; SMN2
SCHEMBL23362097 0.83 ALDH1A1 (0.78) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL3717923 0.82 MMP1 (0.73) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
SCHEMBL32691722 0.82 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2LMNA

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-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 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 (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-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885HTT 357/4885TSHR 2685/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885HTT 357/4885TSHR 2685/4885

“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.