SCHEMBL9254953

SCHEMBL9254953

CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.61
SLC1A1 P43005 7/20 0.61
SLC1A3 P43003 6/20 0.61
CYP2C9 P11712 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.61
MEN1 O00255 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 3/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PYGL P06737 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10126136 1.00 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL13173217 1.00 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL1953602 0.84 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL418322 0.84 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL852209 0.84 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL2000459 0.83 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL20576999 0.83 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL21580352 0.83 SLC1A1 (0.66) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
Water SCHEMBL30419716 0.82 SLC1A3 (0.73) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A
SCHEMBL21992407 0.82 SLC1A1 (0.59) SLC1A2SLC1A1SLC1A3CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8492354-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-23 US disclosed
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
US-20120283209-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-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 US disclosed
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 SLC1A2 3915/4885SLC1A1 2901/4885SLC1A3 3365/4885
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 SLC1A2 3716/4885SLC1A1 2995/4885SLC1A3 3504/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 SLC1A2 3950/4885SLC1A1 2798/4885SLC1A3 3266/4885
US-20120283209-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 SLC1A2 3946/4885SLC1A1 2919/4885SLC1A3 3422/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 SLC1A2 3716/4885SLC1A1 2995/4885SLC1A3 3504/4885
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 SLC1A2 3382/4885SLC1A1 2946/4885SLC1A3 3231/4885
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, Q6ZSR9, NQO2 SLC1A2 3798/4885SLC1A1 3231/4885SLC1A3 3601/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC SLC1A2 3135/4885SLC1A1 1893/4885SLC1A3 1595/4885

“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.