SCHEMBL2017606

SCHEMBL2017606

O=C(O)C=C1CCc2cc3ccc(Br)cc3n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.36
CCR9 P51686 1/20 0.35
NOTUM Q6P988 1/20 0.35
KMO O15229 1/20 0.35
MCL1 Q07820 1/20 0.33
OXER1 Q8TDS5 1/20 0.32
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
LMNA P02545 2/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GFER P55789 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL2014417 0.84 NOTUM (0.36) NOTUM
SCHEMBL2013309 0.81 USP30 (0.40) CCR9NOTUMMCL1NPC1RAB9A
SCHEMBL2019213 0.74 IRAK4 (0.38)
SCHEMBL946355 0.74 NOTUM (0.62) NOTUMKMOSRD5A1MAPTSMN1; SMN2
SCHEMBL1611351 0.67 EDNRB (0.35) CCR9KMOMCL1OXER1LMNA
SCHEMBL31534612 0.64 AHR (0.34) NOTUMKMOMAPT
SCHEMBL26683837 0.62 SIGMAR1 (0.46)
SCHEMBL31534606 0.60 KMO (0.39) CCR9KMOOXER1
SCHEMBL2017601 0.60 MCL1 (0.40) CAMK2AMCL1LMNAPMP22NPSR1
SCHEMBL8352 0.60 LDHA (0.61) CCR9KMOMCL1

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 CAMK2A 3290/4885CCR9 284/4885NOTUM 3585/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 CAMK2A 3290/4885CCR9 284/4885NOTUM 3585/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 CAMK2A 3290/4885CCR9 284/4885NOTUM 3585/4885

“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.