SCHEMBL16455384

SCHEMBL16455384

COC(=O)c1nn(-c2ccccc2C(F)(F)F)c(-c2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.46
NR1H3 Q13133 10/20 0.46
RXRA P19793 6/20 0.46
LMNA P02545 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16455390 0.91 NR1H2 (0.44) NR1H2NR1H3RXRALMNAALDH1A1
SCHEMBL16455255 0.91 NR1H2 (0.48) NR1H2NR1H3RXRALMNANOTUM
SCHEMBL16455637 0.90 NR1H2 (0.46) NR1H2NR1H3RXRALMNAALDH1A1
SCHEMBL15242902 0.89 NR1H2 (0.43) NR1H2NR1H3RXRALMNANOTUM
SCHEMBL16455383 0.89 RXRA (0.53) NR1H2NR1H3RXRALMNAPTGS1
SCHEMBL16455395 0.87 NR1H2 (0.47) NR1H2NR1H3RXRAPTGS1PTGS2
SCHEMBL16455239 0.86 RXRA (0.43) NR1H2NR1H3RXRALMNAPTGS1
SCHEMBL16455582 0.85 NR1H2 (0.50) NR1H2NR1H3RXRALMNAPTGS1
SCHEMBL16455652 0.83 NR1H2 (0.48) NR1H2NR1H3RXRALMNAALDH1A1
SCHEMBL16455594 0.83 NR1H2 (0.56) NR1H2NR1H3RXRALMNAPTGS2

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