SCHEMBL9249651

SCHEMBL9249651

CC(C)C(=O)C(O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.32
TP53 P04637 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
SCHEMBL9252192 0.90 EPHX1 (0.38) TP53
SCHEMBL9249227 0.90 CA12 (0.33) ALOX5
SCHEMBL8021388 0.88 EPHX1 (0.41) TP53
SCHEMBL8003564 0.88 EPHX1 (0.41) TP53
SCHEMBL9251508 0.88 EPHX1 (0.41) TP53
SCHEMBL6914069 0.84 CPN1 (0.40)
SCHEMBL6914144 0.78 GBA1 (0.33)
SCHEMBL10140621 0.77 ALOX5 (0.40) ALOX5
SCHEMBL12937984 0.77 ALOX5 (0.40) ALOX5
SCHEMBL14886200 0.77 ALOX5 (0.40) ALOX5

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8372813-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-12 US disclosed
US-8367625-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-05 US disclosed
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-05 US disclosed
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-06-28 US disclosed
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 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 (10 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-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4625/4885EPHX2 4386/4885TP53 2223/4885
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 ALOX5 4486/4885EPHX2 4276/4885TP53 1915/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4615/4885EPHX2 4543/4885TP53 1950/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 ALOX5 881/4885EPHX2 1320/4885TP53 1598/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4662/4885EPHX2 4600/4885TP53 1750/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4607/4885EPHX2 4537/4885TP53 1957/4885
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4662/4885EPHX2 4600/4885TP53 1750/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 ALOX5 4486/4885EPHX2 4276/4885TP53 1915/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 ALOX5 4662/4885EPHX2 4600/4885TP53 1750/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 ALOX5 4702/4885EPHX2 4585/4885TP53 1994/4885

“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.