SCHEMBL16587443

SCHEMBL16587443

COC(=O)c1nn(-c2ccccc2Cl)c(-c2nc(-c3cccc(S(C)(=O)=O)c3)ns2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.53
NR1H3 Q13133 7/20 0.53
RXRA P19793 6/20 0.53
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
POLB P06746 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 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
SCHEMBL16455599 0.93 RXRA (0.53) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL16455289 0.92 RXRA (0.52) NR1H2NR1H3RXRAPTGS2POLB
SCHEMBL16587442 0.91 NR1H2 (0.46) NR1H2NR1H3RXRAPTGS2ALDH1A1
SCHEMBL16455293 0.90 NR1H2 (0.46) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL16587283 0.88 POLB (0.39) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL16455606 0.87 RXRA (0.52) NR1H2NR1H3RXRAPTGS2POLB
SCHEMBL16455380 0.85 RXRA (0.58) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL15242757 0.85 NR1H2 (0.46) NR1H2NR1H3RXRAPTGS2ALDH1A1
SCHEMBL16455283 0.84 RXRA (0.54) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL16455278 0.84 NR1H2 (0.70) NR1H2NR1H3RXRAPTGS2SLC16A3

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 5 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
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

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-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA NR1H2 1/4885NR1H3 2/4885RXRA 3/4885
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG NR1H2 1/4885NR1H3 2/4885RXRA 4/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA NR1H2 1/4885NR1H3 2/4885RXRA 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.