SCHEMBL13601695

SCHEMBL13601695

Cc1cc(C(=O)O)ccc1-c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
PTPRC P08575 2/20 0.45
PPM1G O15355 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPRO Q16827 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
SRD5A2 P31213 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A1 P18405 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2744846 0.88 TTR (0.46) TTRPTPRCPOLBKMT2AKDM4E
SCHEMBL19409843 0.88 TTR (0.46) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL14114868 0.87 TTR (0.51) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL7197446 0.85 TTR (0.46) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL15999077 0.84 PDK2 (0.44) PTPRCALDH1A1TSHR
SCHEMBL14089938 0.82 ALDH1A1 (0.45) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL272092 0.82 TTR (0.56) TTRPTPRCPPM1GPTPN1PTPN7
SCHEMBL2043423 0.82 RORC (0.51) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL13601697 0.82 TSHR (0.47) TTRPTPRCSRD5A2POLBKMT2A
SCHEMBL14089994 0.81 CA12 (0.51) TTRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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 (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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 TTR 2005/4885PTPRC 2153/4885PPM1G 172/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TTR 2102/4885PTPRC 817/4885PPM1G 565/4885

“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.