SCHEMBL2447545

SCHEMBL2447545

CC(C)(C)OC(=O)C=C1CCc2cc3ccc(OCc4ccccc4)cc3n21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.43
ACSS2 Q9NR19 1/20 0.39
ALOX5 P09917 1/20 0.38
GHSR Q92847 5/20 0.38
MAOB P27338 2/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
YAP1 P46937 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGDR Q13258 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SLC16A3 O15427 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL2441668 0.87 MAOB (0.43) SRD5A2ACSS2ALOX5MAOBMEN1
SCHEMBL2016774 0.87 ALOX5 (0.44) SRD5A2ACSS2ALOX5MAOBMEN1
SCHEMBL2021478 0.77 SRD5A2 (0.43) SRD5A2ACSS2ALOX5MAOBMEN1
SCHEMBL2021908 0.76 NOTUM (0.55) SRD5A2ALOX5MAOBMEN1NPC1
SCHEMBL2447542 0.72 SRD5A2 (0.49) SRD5A2ALOX5GHSRMEN1NPC1
SCHEMBL2447541 0.72 SRD5A2 (0.49) SRD5A2ALOX5GHSRMEN1NPC1
SCHEMBL2021474 0.72 SRD5A2 (0.49) SRD5A2ALOX5GHSRMEN1NPC1
SCHEMBL2019619 0.72 YAP1 (0.41) SRD5A2ALOX5GHSRMAOBHRH3
SCHEMBL5372569 0.72 SRD5A2 (0.43) SRD5A2ACSS2ALOX5MAOBMEN1
SCHEMBL5369798 0.72 SRD5A2 (0.43) SRD5A2ACSS2ALOX5MAOBMEN1

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-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 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 (2 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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 SRD5A2 692/4885ACSS2 1095/4885ALOX5 186/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 SRD5A2 677/4885ACSS2 1249/4885ALOX5 183/4885

“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.