SCHEMBL9249227

SCHEMBL9249227

CC(C)C(=O)C(O)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALOX5 P09917 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 0.95 EPHX1 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL9251508 0.93 EPHX1 (0.41) CA12CA1CA2MMP2CA9
SCHEMBL8021388 0.93 EPHX1 (0.41) CA12CA1CA2MMP2CA9
SCHEMBL8003564 0.93 EPHX1 (0.41) CA12CA1CA2MMP2CA9
SCHEMBL9249651 0.90 ALOX5 (0.37) ALOX5
SCHEMBL6914069 0.80 CPN1 (0.40) EPHX1
SCHEMBL6915115 0.78 CPN1 (0.46) SMN1; SMN2
SCHEMBL24938403 0.74 CA12 (0.32) CA12CA1CA2MMP2CA9
SCHEMBL18401046 0.74 DPP4 (0.46) EPHX1
SCHEMBL13990336 0.74 MMP2 (0.40) CA12CA1CA2MMP2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2016-12-22 US disclosed
US-9266919-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2016-02-23 US disclosed
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2015-02-12 US disclosed
US-8822424-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-09-02 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2013-08-22 US disclosed
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 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-20120135945-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-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 US disclosed
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-10 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 (13 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 CA12 4844/4885CA1 4857/4885CA2 4761/4885
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CA12 4816/4885CA1 4841/4885CA2 4657/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CA12 4820/4885CA1 4831/4885CA2 4675/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 CA12 4844/4885CA1 4857/4885CA2 4761/4885
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS NPEPPS, PIGS, ATP6V1B1 CA12 2743/4885CA1 3899/4885CA2 3963/4885
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, MRPS23 CA12 4677/4885CA1 4713/4885CA2 4480/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 CA12 4844/4885CA1 4857/4885CA2 4761/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CA12 4793/4885CA1 4807/4885CA2 4665/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CA12 4816/4885CA1 4825/4885CA2 4664/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CA12 4793/4885CA1 4807/4885CA2 4665/4885
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS PIGS, PIGO, NPEPPS CA12 3284/4885CA1 4489/4885CA2 4364/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 CA12 4788/4885CA1 4799/4885CA2 4672/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC CA12 3367/4885CA1 4822/4885CA2 4056/4885

“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.