SCHEMBL19633205

SCHEMBL19633205

COC(O)c1cc(-c2nnc(-c3cccc(S(C)(=O)=O)c3)o2)n(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 11/20 0.51
NR1H2 P55055 10/20 0.51
RXRA P19793 6/20 0.51
CARM1 Q86X55 2/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATR Q13535 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL16455594 0.84 NR1H2 (0.56) NR1H3NR1H2RXRACARM1USP2
SCHEMBL16455253 0.83 NR1H2 (0.54) NR1H3NR1H2RXRACARM1CA1
SCHEMBL16455597 0.80 NR1H2 (0.50) NR1H3NR1H2RXRACARM1CA9
SCHEMBL16455598 0.79 NR1H2 (0.48) NR1H3NR1H2RXRACARM1CA9
SCHEMBL20726071 0.77 NR1H2 (0.60) NR1H3NR1H2RXRA
SCHEMBL16455637 0.75 NR1H2 (0.46) NR1H3NR1H2RXRACARM1USP2
SCHEMBL16455384 0.75 NR1H2 (0.46) NR1H3NR1H2RXRAUSP2SMN1; SMN2
SCHEMBL16455255 0.74 NR1H2 (0.48) NR1H3NR1H2RXRACA1CA2
SCHEMBL16455652 0.74 NR1H2 (0.48) NR1H3NR1H2RXRACA1CA2
SCHEMBL19633310 0.72 NR1H3 (0.50) NR1H3NR1H2RXRA

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 NR1H3 2/4885NR1H2 1/4885RXRA 3/4885

“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.