SCHEMBL16455482

SCHEMBL16455482

CCOC(=O)Cn1nc(C(F)(F)F)cc1-c1nnc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
NR1H2 P55055 6/20 0.47
RXRA P19793 5/20 0.47
NR1H3 Q13133 5/20 0.47
HSP90B1 P14625 1/20 0.47
TRAP1 Q12931 1/20 0.47
PTGS2 P35354 3/20 0.45
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL2A1 Q16548 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL16455493 0.91 RXRA (0.49) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455494 0.90 NR1H2 (0.46) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455475 0.89 NR1H2 (0.43) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455495 0.89 NR1H2 (0.44) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL19633083 0.88 NR1H2 (0.43) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL15230208 0.88 NR1H2 (0.61) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455488 0.88 RXRA (0.51) HSP90AA1NR1H2RXRANR1H3PTGS2
Rovazolac SCHEMBL15242823 0.87 NR1H2 (0.57) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455515 0.86 HSP90AA1 (0.44) HSP90AA1NR1H2RXRANR1H3HSP90B1
SCHEMBL16455657 0.86 HSP90AA1 (0.44) HSP90AA1NR1H2RXRANR1H3HSP90B1

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 HSP90AA1 556/4885NR1H2 1/4885RXRA 3/4885
US-20170334897-A1 Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions NR1H2, NR1H3, RXRA HSP90AA1 529/4885NR1H2 1/4885RXRA 3/4885
US-20210101895-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRG HSP90AA1 564/4885NR1H2 1/4885RXRA 4/4885
US-20150152094-A1 LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS NR1H2, NR1H3, RXRA HSP90AA1 556/4885NR1H2 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.