SCHEMBL5560903

SCHEMBL5560903

COc1cc(OC)c(C=O)cc1C#Cc1ccccc1NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
ALOX12 P18054 1/20 0.44
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
CETP P11597 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5565140 0.87 KMT2A (0.43) KDM4EALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL14547367 0.81 KDM4E (0.48) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL5564639 0.74 ALDH1A1 (0.49) KDM4ELMNAALDH1A1TSHRTDP1
SCHEMBL1030263 0.72 LMNA (0.74) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL28877341 0.72 ALDH1A1 (0.58) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL15427825 0.71 CETP (0.57) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL4171512 0.70 LMNA (0.55) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL14524528 0.69 KMT2A (0.47) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL14547415 0.69 KMT2A (0.49) KDM4ELMNAALDH1A1TSHRTDP1
SCHEMBL17084899 0.67 TRIM24 (0.51) KDM4ELMNAALDH1A1TSHRSMN1; SMN2

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 6 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-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-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 KDM4E 2383/4885LMNA 2762/4885ALOX12 2661/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 KDM4E 2383/4885LMNA 2762/4885ALOX12 2661/4885

“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.