SCHEMBL6040757

SCHEMBL6040757

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cccs2)c(OC)cc1OCc1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
KDM4E B2RXH2 5/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 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
SCHEMBL6040839 0.84 CA2 (0.40) CA2CA9
SCHEMBL6040578 0.84 TNFRSF1A (0.47) CA2CA9KDM4EMAPT
SCHEMBL6040766 0.83 TNFRSF1A (0.47) NPC1RAB9ASMN1; SMN2CA2CA9
SCHEMBL6040761 0.83 TNFRSF1A (0.47) NPC1RAB9ASMN1; SMN2CA2CA9
SCHEMBL6040501 0.81 CA2 (0.39) SMN1; SMN2CA2CA9ALDH1A1HSD17B10
SCHEMBL6040637 0.79 CA2 (0.41) CA2CA9ALDH1A1KDM4EMAPT
SCHEMBL6040802 0.76 CA2 (0.44) CA2CA9MAPTLMNAMEN1
SCHEMBL6040478 0.76 CA2 (0.40) CA2CA9
SCHEMBL6040596 0.75 CA2 (0.46) NPC1SMN1; SMN2CA2CA9ALDH1A1
SCHEMBL6045177 0.74 HRH3 (0.47) SMN1; SMN2CA2CA9ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO claimed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 NPC1 40/4885RAB9A 1137/4885SMN1; SMN2 2931/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 NPC1 1311/4885RAB9A 3448/4885SMN1; SMN2 4274/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 NPC1 22/4885RAB9A 998/4885SMN1; SMN2 2245/4885

“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.