SCHEMBL16455644

SCHEMBL16455644

CC(C)c1ccccc1-n1nc(C(=O)O)c(Cl)c1-c1nnc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.40
RXRA P19793 6/20 0.40
NR1H3 Q13133 6/20 0.40
HSP90AA1 P07900 4/20 0.39
HSP90B1 P14625 3/20 0.36
TRAP1 Q12931 3/20 0.36
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 1/20 0.33
THRB P10828 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL16455642 0.91 NR1H2 (0.47) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455491 0.90 HSP90AA1 (0.39) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455386 0.89 NR1H2 (0.50) NR1H2RXRANR1H3PTGS2KCNH2
SCHEMBL16455646 0.89 NR1H2 (0.42) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16452680 0.88 ALDH1A1 (0.38)
SCHEMBL16455240 0.87 NR1H2 (0.39) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455394 0.86 NR1H2 (0.37) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455254 0.85 NR1H2 (0.52) NR1H2RXRANR1H3
SCHEMBL16455485 0.84 ALDH1A1 (0.39) NR1H2RXRANR1H3HSP90AA1HSP90B1
SCHEMBL16455249 0.82 NR1H2 (0.43) NR1H2RXRANR1H3HSP90AA1HSP90B1

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 1/4885RXRA 3/4885NR1H3 2/4885
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
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.