SCHEMBL1576541

SCHEMBL1576541

CC(C)[C@@H](C(=O)O)N1CCCc2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
NOTUM Q6P988 1/20 0.48
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
AVPR1A P37288 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AVPR2 P30518 4/20 0.42
HSD17B3 P37058 1/20 0.41
IDO1 P14902 2/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL1576392 1.00 HDAC1 (0.57) HDAC1HDAC6NOTUMSDCBPSDC2
SCHEMBL13981019 0.90 HDAC1 (0.57) HDAC1HDAC6NOTUMSDCBPSDC2
SCHEMBL12656481 0.88 HDAC1 (0.56) HDAC1HDAC6NOTUMAVPR1AHDAC8
SCHEMBL1576161 0.86 HDAC1 (0.59) HDAC1HDAC6NOTUMAVPR1AHDAC8
SCHEMBL1576159 0.86 HDAC1 (0.59) HDAC1HDAC6NOTUMAVPR1AHDAC8
SCHEMBL11984747 0.86 HDAC1 (0.54) HDAC1HDAC6NOTUMAVPR1AHDAC8
SCHEMBL11978598 0.86 HDAC1 (0.54) HDAC1HDAC6NOTUMAVPR1AHDAC8
SCHEMBL4880207 0.84 NOTUM (0.48) HDAC1HDAC6NOTUM
SCHEMBL4880202 0.84 NOTUM (0.48) HDAC1HDAC6NOTUM
SCHEMBL2626594 0.84 HDAC1 (0.52) HDAC1HDAC6NOTUMAVPR1AHDAC8

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 27 patents — showing the first 20. 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-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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 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-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US 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
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US 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 HDAC1 1081/4885HDAC6 247/4885NOTUM 1926/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 HDAC1 623/4885HDAC6 238/4885NOTUM 3081/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 HDAC1 595/4885HDAC6 185/4885NOTUM 2423/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 HDAC1 507/4885HDAC6 187/4885NOTUM 2777/4885

“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.