SCHEMBL2018071

SCHEMBL2018071

CCOC(=O)CC1CCc2cc3ccc(O)c(C)c3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PTPN11 Q06124 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
RORC P51449 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2016667 0.87 LMNA (0.38) KDM4EALDH1A1MEN1KMT2AGABRA1
SCHEMBL28527343 0.86 GRIN2D (0.38)
SCHEMBL1255224 0.74 CYP11B1 (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28537387 0.74 PPARD (0.37) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2017786 0.66 ESR2 (0.36) KDM4EALDH1A1RORCEGFRMIF
SCHEMBL2018070 0.64 GAA (0.37) HSD17B1GAAKDM4EALDH1A1MAPT
SCHEMBL8656153 0.62 HTR2A (0.41) GAAKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5775631 0.60 GRIN2D (0.39) CA12CA1CA2CA9
SCHEMBL12798477 0.60 ESR1 (0.51) HSD17B1CA12CA1CA2CA7
SCHEMBL69766 0.60 GAA (0.43) GAAALDH1A1KMT2AGABRA1GABRG2

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 8 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
EP-2342205-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2011-07-13 EP 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
WO-2010027431-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-11 WO 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 HSD17B1 397/4885GAA 4213/4885KDM4E 4317/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 HSD17B1 397/4885GAA 4213/4885KDM4E 4317/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 HSD17B1 397/4885GAA 4213/4885KDM4E 4317/4885

“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.