SCHEMBL3472076

SCHEMBL3472076

CS(=O)(=O)c1cccc(-c2ccc(/C(O)=C\C(=O)C(F)(F)F)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.54
HSD17B2 P37059 4/20 0.54
HDAC6 Q9UBN7 5/20 0.49
HSD11B1 P28845 1/20 0.47
HDAC1 Q13547 2/20 0.46
CNR1 P21554 1/20 0.46
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
RXRA P19793 2/20 0.44
ESR1 P03372 1/20 0.44
ESRRG P62508 1/20 0.44
HPGDS O60760 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3472078 1.00 HSD17B1 (0.54) HSD17B1HSD17B2HDAC6HSD11B1HDAC1
SCHEMBL3472072 1.00 HSD17B1 (0.54) HSD17B1HSD17B2HDAC6HSD11B1HDAC1
SCHEMBL12978665 0.86 HDAC6 (0.65) HSD17B1HSD17B2HDAC6HSD11B1HDAC1
SCHEMBL3471160 0.79 HSD17B1 (0.60) HSD17B1HSD17B2HDAC6HSD11B1CNR1
SCHEMBL3472354 0.79 HSD17B1 (0.54) HSD17B1HSD17B2HDAC6HSD11B1HDAC1
SCHEMBL14623234 0.76 HSD17B1 (0.46) HSD17B1HSD17B2HDAC6HSD11B1HDAC1
SCHEMBL27716967 0.76 HSD17B1 (0.57) HSD17B1HSD17B2HDAC6HSD11B1CNR1
SCHEMBL12979313 0.75 HSD17B1 (0.53) HSD17B1HSD17B2HSD11B1CNR1NR1H2
SCHEMBL16328672 0.73 HSD17B1 (0.42) HSD17B1HSD17B2HDAC6HDAC1CNR1
SCHEMBL16328673 0.73 HSD17B1 (0.44) HSD17B1HSD17B2HDAC6HDAC1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 HSD17B1 148/4885HSD17B2 241/4885HDAC6 1826/4885

“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.