SCHEMBL16455607

SCHEMBL16455607

CCOC(=O)c1cc(-c2nc(-c3cccc(S(C)(=O)=O)c3)ns2)n(-c2ccccc2C(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.51
RXRA P19793 3/20 0.45
NR1H3 Q13133 3/20 0.45
CA9 Q16790 3/20 0.43
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
CHRNA7 P36544 2/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 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
SCHEMBL16455600 0.92 NR1H2 (0.43) NR1H2RXRANR1H3CA9HSP90AA1
SCHEMBL16452556 0.90 ALDH1A1 (0.41) NR1H2CA9SLC16A3SLC16A1GAA
SCHEMBL16455288 0.89 NR1H2 (0.58) NR1H2RXRANR1H3CA9CHRNA7
SCHEMBL16455639 0.87 NR1H2 (0.54) NR1H2RXRANR1H3CA9HSP90AA1
SCHEMBL15242885 0.85 NR1H2 (0.38) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455511 0.85 NR1H2 (0.55) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455290 0.84 NR1H2 (0.41) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16587432 0.83 NR1H2 (0.52) NR1H2RXRANR1H3CA9HSP90AA1
SCHEMBL16455503 0.83 NR1H2 (0.58) NR1H2RXRANR1H3CA9CHRNA7
SCHEMBL16587431 0.82 NR1H2 (0.43) NR1H2RXRANR1H3HSP90AA1SLC16A3

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
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2021-04-08 US disclosed
EP-3441390-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS Ralexar Therapeutics, Inc. (US) 2019-02-13 EP disclosed
US-9637481-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions RALEXAR THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS RALEXAR THERAPEUTICS, INC. 2015-06-04 US disclosed
US-8987318-B2 Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions ALEXAR THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20150045399-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. (US) 2015-02-12 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 (3 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-20150045399-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
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG NR1H2 1/4885RXRA 4/4885NR1H3 2/4885
US-20150152094-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.