SCHEMBL2586121

SCHEMBL2586121

COc1cc(C(=O)O)ccc1OC1CCOC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.72
PDE4A P27815 10/20 0.72
PDE4B Q07343 10/20 0.72
PDE4C Q08493 10/20 0.72
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TSHR P16473 1/20 0.50

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
SCHEMBL2586118 1.00 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL17908087 1.00 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL7360996 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL7361406 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL7359837 0.95 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL15595689 0.92 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL15573836 0.89 CA12 (0.63) PDE4DPDE4APDE4BPDE4CCA12
SCHEMBL2587166 0.88 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL2587167 0.88 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL7356965 0.86 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8598164-B2 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-03 US disclosed
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 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 (7 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4A 700/4885PDE4B 636/4885
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 PDE4D 1017/4885PDE4A 1014/4885PDE4B 1186/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4A 700/4885PDE4B 636/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 PDE4D 1017/4885PDE4A 1014/4885PDE4B 1186/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4A 700/4885PDE4B 636/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4A 700/4885PDE4B 636/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 PDE4D 1106/4885PDE4A 751/4885PDE4B 1107/4885

“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.