SCHEMBL14845708

SCHEMBL14845708

CCC(O)CNS(=O)(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.35
GBA1 P04062 1/20 0.32
PER2 O15055 3/20 0.31
CRY1 Q16526 3/20 0.31
CRY2 Q49AN0 3/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL28305215 0.82 CA1 (0.32) GRIA4
SCHEMBL17030573 0.82 GRIA4 (0.30) GRIA4
SCHEMBL12379993 0.81 PER2 (0.45) GRIA4GBA1PER2CRY1CRY2
SCHEMBL12745326 0.79
SCHEMBL10510598 0.78 TSHR (0.36) GRIA4PTGES
SCHEMBL598563 0.76 GRIA4 (0.32) GRIA4PTGES
SCHEMBL30464073 0.76 EPHX1 (0.46) GRIA4
SCHEMBL17149388 0.75 GRIA4 (0.37) GRIA4
SCHEMBL15099966 0.73 HCRTR2 (0.30)
SCHEMBL777392 0.72 CA12 (0.39) GRIA4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091011-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-12-27 EP disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 US disclosed
EP-3091011-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Inc. (US) 2016-11-09 EP disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
EP-2674428-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-04-06 EP disclosed
EP-2007756-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-08-26 EP disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 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 (9 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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GRIA4 4311/4885GBA1 450/4885PER2 2706/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GRIA4 4311/4885GBA1 450/4885PER2 2706/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GRIA4 4248/4885GBA1 363/4885PER2 3769/4885

“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.