SCHEMBL6040767

SCHEMBL6040767

O=Cc1ccc(F)c(-c2cccs2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.58
ERN1 O75460 6/20 0.50
DPP4 P27487 1/20 0.40
CYP2A6 P11509 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL29786888 0.87 ERN1 (0.47) TNFRSF1AERN1DPP4CYP2A6NPC1
SCHEMBL21774367 0.87 ERN1 (0.47) TNFRSF1AERN1DPP4CYP2A6NPC1
SCHEMBL27858646 0.80 DPP4 (0.40) TNFRSF1AERN1DPP4CYP2A6NPC1
SCHEMBL27875008 0.79 DPP4 (0.39) TNFRSF1AERN1DPP4CYP2A6NPC1
SCHEMBL6856211 0.78 ALDH1A1 (0.46) CYP2A6RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6205484 0.77 TNFRSF1A (0.54) TNFRSF1AERN1NPC1RAB9AATM
SCHEMBL13037458 0.77 ERN1 (0.46) TNFRSF1AERN1DPP4CYP2A6NPC1
SCHEMBL5937486 0.76 ERN1 (0.59) TNFRSF1AERN1NPC1ALDH1A1HPGD
SCHEMBL2782222 0.76 NPC1 (0.46) TNFRSF1AERN1CYP2A6NPC1RAB9A
SCHEMBL6742052 0.75 ERN1 (0.49) TNFRSF1AERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP 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 (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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TNFRSF1A 3846/4885ERN1 1752/4885DPP4 448/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885DPP4 651/4885

“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.