SCHEMBL231509

SCHEMBL231509

CCOC(=O)c1csc(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MMP13 P45452 4/20 0.48
MMP1 P03956 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP8 Q14790 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL10464761 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4739602 0.80 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1536494 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1536399 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL10918829 0.76 HDAC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2080725 0.76 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1502675 0.75 GAA (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29194799 0.75 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL234082 0.75 MEN1 (0.49) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7446319 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTMEN1

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-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 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 (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-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 RAB9A 2028/4885NPC1 23/4885SMN1; SMN2 4815/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 RAB9A 2028/4885NPC1 23/4885SMN1; SMN2 4815/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 RAB9A 2028/4885NPC1 23/4885SMN1; SMN2 4815/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 RAB9A 2038/4885NPC1 24/4885SMN1; SMN2 4815/4885

“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.