SCHEMBL1576676

SCHEMBL1576676

C[C@@H](C(=O)O)n1ccc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.49
OXER1 Q8TDS5 2/20 0.46
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
TSHR P16473 1/20 0.38
HTR2B P41595 1/20 0.38
ACLY P53396 1/20 0.37
SLC6A9 P48067 1/20 0.36
NPY5R Q15761 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
SCHEMBL1576677 1.00 KMO (0.49) KMOOXER1SLC6A2SLC6A4PTGDR2
SCHEMBL2256767 1.00 KMO (0.49) KMOOXER1SLC6A2SLC6A4PTGDR2
SCHEMBL22798768 0.88 SLC6A2 (0.48) KMOOXER1SLC6A2SLC6A4PTGDR2
SCHEMBL22798937 0.88 SLC6A2 (0.48) KMOOXER1SLC6A2SLC6A4PTGDR2
SCHEMBL16234662 0.88 KMO (0.46) KMOOXER1SLC6A2SLC6A4ALDH1A1
SCHEMBL22798770 0.88 SLC6A2 (0.48) KMOOXER1SLC6A2SLC6A4PTGDR2
SCHEMBL14683612 0.86 KMO (0.44) KMOOXER1SLC6A2SLC6A4HTR2A
SCHEMBL14683256 0.86 KMO (0.44) KMOOXER1SLC6A2SLC6A4HTR2A
SCHEMBL10165368 0.84 KMO (0.43) KMOOXER1SLC6A2SLC6A4HTR2A
SCHEMBL10203424 0.84 KMO (0.49) KMOOXER1SLC6A2SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
CN-101365686-A Heterocyclic derivatives as modulators of ion channels VERTEX PHARMA (US) 2009-02-11 CN disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (4 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 KMO 2471/4885OXER1 3532/4885SLC6A2 278/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KMO 2034/4885OXER1 1348/4885SLC6A2 460/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KMO 2533/4885OXER1 3466/4885SLC6A2 446/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KMO 3278/4885OXER1 3506/4885SLC6A2 993/4885

“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.