SCHEMBL16455396

SCHEMBL16455396

CSCOC(=O)c1nn(-c2ccccc2C(F)(F)F)c(-c2nsc(-c3cccc(S(C)(=O)=O)c3)n2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.43
NR1H2 P55055 16/20 0.43
RXRA P19793 6/20 0.43
PIK3CA P42336 1/20 0.36
S1PR1 P21453 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
SCHEMBL15242947 0.92 NR1H3 (0.42) NR1H3NR1H2RXRAPIK3CA
SCHEMBL16455636 0.88 NR1H3 (0.46) NR1H3NR1H2RXRAPIK3CA
SCHEMBL16455299 0.85 NR1H2 (0.43) NR1H3NR1H2RXRAS1PR1
SCHEMBL16587434 0.85 NR1H2 (0.48) NR1H3NR1H2RXRAPIK3CAS1PR1
SCHEMBL19633179 0.84 NR1H2 (0.46) NR1H3NR1H2RXRAPIK3CA
SCHEMBL16455635 0.83 NR1H2 (0.43) NR1H3NR1H2RXRA
SCHEMBL16455393 0.83 NR1H2 (0.44) NR1H3NR1H2RXRAPIK3CA
SCHEMBL19633201 0.82 HSP90AA1 (0.33) NR1H3NR1H2RXRA
SCHEMBL15242879 0.81 NR1H2 (0.48) NR1H3NR1H2RXRAPIK3CA
SCHEMBL15242752 0.81 NR1H2 (0.45) 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 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 NR1H3 2/4885NR1H2 1/4885RXRA 3/4885
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
US-20150152094-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.