SCHEMBL6092987

SCHEMBL6092987

COc1ccc(-c2cccs2)c(OC)c1C(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
TNFRSF1A P19438 7/20 0.40
MAPT P10636 3/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38

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
SCHEMBL6093492 0.81 ERN1 (0.43) ERN1TNFRSF1AMAPTKDM4ETUBB4A
SCHEMBL6095260 0.80 ERN1 (0.46) ERN1TNFRSF1AMAPTALOX5PTGS1
SCHEMBL6091945 0.80 MAPT (0.41) MAPTMEN1GAAHPGDKMT2A
SCHEMBL6094282 0.80 TNFRSF1A (0.44) ERN1TNFRSF1AMAPTKDM4EL3MBTL1
SCHEMBL6093002 0.79 PPARA (0.42) ERN1TNFRSF1AMAPTKDM4E
SCHEMBL6094177 0.79 MAPT (0.48) ERN1MAPTKDM4EL3MBTL1RXFP1
SCHEMBL6093024 0.79 PPARG (0.42) ERN1TNFRSF1AMAPTKDM4ETUBB4A
SCHEMBL6091675 0.78 KDM4E (0.52) ERN1TNFRSF1AMAPTKDM4EL3MBTL1
SCHEMBL6092820 0.77 ALDH1A1 (0.43) ERN1MAPTKDM4EL3MBTL1MEN1
SCHEMBL6092674 0.76 ERN1 (0.44) ERN1TNFRSF1AMAPTKDM4EL3MBTL1

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
EP-3458443-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017191000-A9 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-27 WO disclosed
WO-2017191000-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 WO disclosed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006016218-A1 ARYL OR HETEROARYL CARBONYL DERIVATIVES DERIVATIVES USEFUL AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-02-16 WO disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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 (1 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 ERN1 2367/4885TNFRSF1A 4880/4885MAPT 1784/4885

“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.