SCHEMBL2017274

SCHEMBL2017274

CCOC(=O)C1=C(O)c2cc3cc(OCc4ccccc4)ccc3n2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
SRD5A2 P31213 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.45
MAOA P21397 1/20 0.43
PPARG P37231 1/20 0.43
NMT1 P30419 2/20 0.42
NMT2 O60551 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL12320537 0.90 MEN1 (0.50) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL28533472 0.88 SRD5A2 (0.53) MEN1KMT2ASRD5A2NPC1RAB9A
SCHEMBL8657547 0.85 ALDH1A1 (0.45) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL8328857 0.82 SMN1; SMN2 (0.49) MEN1KMT2AKDM4EGAA
SCHEMBL12320541 0.82 MEN1 (0.49) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL2441665 0.81 SRD5A2 (0.47) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL2441664 0.81 SRD5A2 (0.47) MEN1KMT2AHSP90AA1SRD5A2NPC1
Potassium Ion SCHEMBL2447143 0.81 MEN1 (0.48) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL2018948 0.77 SRD5A2 (0.46) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL2018949 0.77 SRD5A2 (0.46) MEN1KMT2AHSP90AA1SRD5A2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105816453-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-03-05 CN disclosed
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 MEN1 477/4885KMT2A 4198/4885HSP90AA1 2539/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 MEN1 477/4885KMT2A 4198/4885HSP90AA1 2539/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 MEN1 477/4885KMT2A 4198/4885HSP90AA1 2539/4885

“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.