SCHEMBL16455646

SCHEMBL16455646

CCOC(=O)c1nn(-c2ccccc2C(C)C)c(-c2nnc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.42
HSP90AA1 P07900 4/20 0.42
HSP90B1 P14625 2/20 0.42
TRAP1 Q12931 2/20 0.42
RXRA P19793 3/20 0.40
NR1H3 Q13133 3/20 0.40
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
AAK1 Q2M2I8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL16455240 0.92 NR1H2 (0.39) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455642 0.91 NR1H2 (0.47) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455242 0.91 NR1H2 (0.42) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455374 0.90 NR1H2 (0.49) NR1H2HSP90AA1RXRANR1H3ALDH1A1
SCHEMBL16452629 0.90 ALDH1A1 (0.40) ALDH1A1NPSR1CA1CA2AAK1
SCHEMBL16455644 0.89 NR1H2 (0.40) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455576 0.87 NR1H2 (0.48) NR1H2RXRANR1H3ALDH1A1NPSR1
SCHEMBL16455244 0.86 NR1H2 (0.42) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455639 0.84 NR1H2 (0.54) NR1H2HSP90AA1HSP90B1TRAP1RXRA
SCHEMBL16455499 0.83 NR1H2 (0.48) NR1H2HSP90AA1RXRANR1H3ALDH1A1

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 7 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-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions ALEXAR THERAPEUTICS, INC. 2017-11-23 US 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 (4 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 1/4885HSP90AA1 556/4885HSP90B1 593/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885HSP90AA1 529/4885HSP90B1 506/4885
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG NR1H2 1/4885HSP90AA1 564/4885HSP90B1 568/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA NR1H2 1/4885HSP90AA1 556/4885HSP90B1 593/4885

“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.