SCHEMBL2017597

SCHEMBL2017597

CCOC(=O)C=C1CCc2cc3ccc(OC)c(C)c3n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.36
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
ACHE P22303 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL2018386 0.74 NOTUM (0.43) LMNAKDM4EALDH1A1POLBCYP2C9
SCHEMBL2441668 0.69 MAOB (0.43) LMNAMAOBALDH1A1
SCHEMBL2016667 0.68 LMNA (0.38) LMNAKDM4ECYP2C19ALDH1A1POLB
SCHEMBL27649529 0.65 CTDSP1 (0.45) FDPSSMN1; SMN2LMNAKDM4EMAOB
SCHEMBL2017593 0.64 ALOX5 (0.39) FDPSSMN1; SMN2LMNAKDM4EMAOB
SCHEMBL2017595 0.64 ALOX5 (0.39) FDPSSMN1; SMN2LMNAKDM4EMAOB
SCHEMBL7741678 0.61 CTDSP1 (0.47) POLBCTDSP1TDP1
SCHEMBL21028290 0.60 HTR2A (0.42) SMN1; SMN2KDM4EALDH1A1ESR2HPGD
SCHEMBL12035658 0.60 FDPS (0.56) FDPSSMN1; SMN2KDM4EMAOBCYP2C19
SCHEMBL15669138 0.60 FDPS (0.56) FDPSSMN1; SMN2KDM4EMAOBCYP2C19

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
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
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 FDPS 1284/4885SMN1; SMN2 2896/4885LMNA 3769/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 FDPS 1284/4885SMN1; SMN2 2896/4885LMNA 3769/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 FDPS 1284/4885SMN1; SMN2 2896/4885LMNA 3769/4885

“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.