SCHEMBL16455481

SCHEMBL16455481

CSCOC(=O)c1nn(-c2ccccc2C(C)C)c(-c2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
HSP90B1 P14625 2/20 0.36
TRAP1 Q12931 2/20 0.36
NR1H2 P55055 4/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 4/20 0.33
ATR Q13535 1/20 0.33
RXRA P19793 1/20 0.33
NR1H3 Q13133 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
POLB P06746 1/20 0.32
PTBP1 P26599 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL16455480 0.92 NR1H2 (0.42) HSP90AA1HSP90B1TRAP1NR1H2LMNA
SCHEMBL16455245 0.91 HSP90AA1 (0.36) HSP90AA1HSP90B1TRAP1NR1H2LMNA
SCHEMBL16455629 0.89 RXRA (0.43) NR1H2LMNANPC1RAB9AALDH1A1
SCHEMBL16452630 0.89 MAPT (0.38) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16455490 0.89 NR1H2 (0.40) HSP90AA1HSP90B1TRAP1NR1H2LMNA
SCHEMBL16455635 0.87 NR1H2 (0.43) NR1H2LMNARXRANR1H3SMN1; SMN2
SCHEMBL16455486 0.87 ALDH1A1 (0.39) HSP90AA1HSP90B1TRAP1NR1H2LMNA
SCHEMBL16455492 0.87 HSP90AA1 (0.36) HSP90AA1HSP90B1TRAP1NR1H2RXRA
SCHEMBL16455641 0.84 NR1H2 (0.44) HSP90AA1HSP90B1TRAP1NR1H2LMNA
SCHEMBL19633201 0.83 HSP90AA1 (0.33) HSP90AA1HSP90B1TRAP1NR1H2ALDH1A1

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
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 (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 HSP90AA1 556/4885HSP90B1 593/4885TRAP1 919/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA HSP90AA1 529/4885HSP90B1 506/4885TRAP1 940/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA HSP90AA1 556/4885HSP90B1 593/4885TRAP1 919/4885

“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.