SCHEMBL2019880

SCHEMBL2019880

CC(C)(C)OC(=O)CC1CCc2cc3ccc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3n21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.41
RXRA P19793 9/20 0.39
NR1H2 P55055 9/20 0.39
NR1H3 Q13133 7/20 0.39
EPHX2 P34913 1/20 0.37
PPARD Q03181 1/20 0.35
SRD5A2 P31213 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR5 Q9H228 2/20 0.34
PRKX P51817 1/20 0.34
IKBKE Q14164 1/20 0.34
FFAR1 O14842 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK7 P50613 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
ESRRA P11474 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
SCHEMBL2014510 0.90 SRD5A1 (0.42) SRD5A1PPARDSRD5A2S1PR1S1PR5
SCHEMBL2019892 0.86 S1PR1 (0.49) S1PR1S1PR5
SCHEMBL2020845 0.84 S1PR1 (0.49) S1PR1S1PR5
SCHEMBL2024094 0.84 S1PR1 (0.49) S1PR1S1PR5
SCHEMBL28538177 0.82 S1PR1 (0.50) S1PR1S1PR5
SCHEMBL2016264 0.82 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL28521181 0.82 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL2019619 0.82 YAP1 (0.41) SRD5A2S1PR1S1PR5FFAR1
SCHEMBL2016310 0.81 S1PR1 (0.52) RXRAS1PR1S1PR5
SCHEMBL2020783 0.81 S1PR1 (0.51) PPARDS1PR1S1PR5FFAR1

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-2342205-B1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2016-04-20 EP disclosed
US-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. 2015-11-26 US disclosed
US-9108969-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8415484-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals ,Inc. (US) 2011-06-30 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-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 SRD5A1 240/4885RXRA 782/4885NR1H2 109/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 SRD5A1 240/4885RXRA 782/4885NR1H2 109/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 SRD5A1 240/4885RXRA 782/4885NR1H2 109/4885

“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.