SCHEMBL19633083

SCHEMBL19633083

CCN(C)CCOC(=O)Cn1nc(C(F)(F)F)cc1-c1nnc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
RXRA P19793 5/20 0.43
NR1H3 Q13133 5/20 0.43
PTGS2 P35354 5/20 0.39
HSP90AA1 P07900 3/20 0.39
PIK3CA P42336 1/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL16455475 0.93 NR1H2 (0.43) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455495 0.93 NR1H2 (0.44) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455482 0.88 HSP90AA1 (0.49) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455493 0.85 RXRA (0.49) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455494 0.84 NR1H2 (0.46) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455526 0.82 NR1H2 (0.55) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL18800493 0.82 HSP90AA1 (0.42) NR1H2RXRANR1H3HSP90AA1PIK3CA
SCHEMBL15229884 0.82 NR1H2 (0.57) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455488 0.82 RXRA (0.51) NR1H2RXRANR1H3PTGS2HSP90AA1
SCHEMBL16455668 0.81 NR1H2 (0.48) NR1H2RXRANR1H3PTGS2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. 2017-11-23 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-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885RXRA 3/4885NR1H3 2/4885

“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.