SCHEMBL17112486

SCHEMBL17112486

COC(=O)c1ccc(OC2CCOC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.54
PDE4A P27815 10/20 0.54
PDE4B Q07343 10/20 0.54
PDE4C Q08493 10/20 0.54
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL22688391 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL2587166 0.86 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL2587167 0.86 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL17112499 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL29664016 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL16533471 0.85 NOTUM (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7362118 0.84 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL31535406 0.83 PDE4B (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL8154363 0.83 PDE4B (0.50) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL20021947 0.83 PDE4B (0.53) PDE4DPDE4APDE4BPDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-09 US disclosed
US-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMAN-LA ROCHE INC. (US) 2020-05-19 US disclosed
EP-3122750-B1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-16 US disclosed
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-04-26 US disclosed
US-9802944-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
EP-3122750-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
US-20170008900-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
WO-2015144605-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 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 (5 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-10654857-B2 Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors ENPP2, LPAR1, LPAR2 PDE4D 1147/4885PDE4A 869/4885PDE4B 977/4885
US-20170008900-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PDE4D 1147/4885PDE4A 869/4885PDE4B 977/4885
US-20200216457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PDE4D 1147/4885PDE4A 869/4885PDE4B 977/4885
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PDE4D 1147/4885PDE4A 869/4885PDE4B 977/4885
US-20190144457-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 PDE4D 1147/4885PDE4A 869/4885PDE4B 977/4885

“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.