SCHEMBL11642

SCHEMBL11642

C#CCCCC(=O)NC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
USP30 Q70CQ3 8/20 0.44
HSD11B1 P28845 4/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
CTSK P43235 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 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
SCHEMBL31257497 0.84 USP30 (0.49) EPHX1USP30HSD11B1CYP2C9EPHX2
SCHEMBL25021926 0.83 EPHX1 (0.48) EPHX1USP30HSD11B1CYP2C9EPHX2
SCHEMBL2040388 0.80 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9ALDH1A1
SCHEMBL17560313 0.80 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9ALDH1A1
SCHEMBL17560314 0.80 EPHX1 (0.55) EPHX1USP30HSD11B1CYP2C9ALDH1A1
SCHEMBL11268 0.79 KDM4E (0.53) EPHX1
SCHEMBL18632877 0.79 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9HDAC4
SCHEMBL18124100 0.79 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9MEN1
SCHEMBL2000384 0.79 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9ALDH1A1
SCHEMBL2000386 0.79 EPHX1 (0.53) EPHX1USP30HSD11B1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
EP-2491037-B1 QUINAZOLIN-4(3H)-ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LTD (GB) 2014-04-30 EP disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 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-20160264583-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 EPHX1 316/4885USP30 4252/4885HSD11B1 117/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 EPHX1 316/4885USP30 4252/4885HSD11B1 117/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 EPHX1 316/4885USP30 4252/4885HSD11B1 117/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 EPHX1 316/4885USP30 4252/4885HSD11B1 117/4885

“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.