SCHEMBL10000161

SCHEMBL10000161

COC(=O)c1nonc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
STAT5B P51692 1/20 0.42
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL22213898 0.86 NPSR1 (0.45) NPSR1STAT5BALDH1A1SMN1; SMN2POLB
SCHEMBL8936009 0.81 GAA (0.37) STAT5BALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL25745097 0.79 KMT2A (0.33) STAT5BALDH1A1LMNAKDM4EKMT2A
SCHEMBL8936043 0.76 NPSR1 (0.42) NPSR1STAT5BALDH1A1SMN1; SMN2POLB
SCHEMBL30281258 0.75 CA12 (0.45) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL8936020 0.74 LMNA (0.34) ALDH1A1SMN1; SMN2LMNAL3MBTL1HTT
SCHEMBL17950597 0.73 NPSR1 (0.48) NPSR1STAT5BALDH1A1SMN1; SMN2POLB
SCHEMBL13343501 0.73 KMT2A (0.50) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL25528246 0.71 NPSR1 (0.45) NPSR1STAT5BALDH1A1SMN1; SMN2POLB
SCHEMBL29253024 0.71 NPSR1 (0.41) NPSR1STAT5BALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207206-B2 (S,R)-3-phenyl-4,5 dihydro-5-isoxazole acetic acid-nitric oxide and use thereof as anti-cancer and antiviral agent ONCONOX APS (DK) 2012-06-26 US disclosed
US-8207206-B2 (S,R)-3-phenyl-4,5 dihydro-5-isoxazole acetic acid-nitric oxide and use thereof as anti-cancer and antiviral agent ONCONOX APS (DK) 2012-06-26 US disclosed
US-20100305176-A1 (S,R.)-3-PHENYL-4,5 DIHYDRO-5-ISOXAZOLE ACETIC ACID-NITRIC OXIDE AND USE THEREOF AS ANTI-CANCER AND ANTIVIRAL AGENT GANIAL IMMUNOTERAPEUTICS INC. (US) 2010-12-02 US disclosed
US-20100305176-A1 (S,R.)-3-PHENYL-4,5 DIHYDRO-5-ISOXAZOLE ACETIC ACID-NITRIC OXIDE AND USE THEREOF AS ANTI-CANCER AND ANTIVIRAL AGENT GANIAL IMMUNOTERAPEUTICS INC. (US) 2010-12-02 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 (1 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-20100305176-A1 (S,R.)-3-PHENYL-4,5 DIHYDRO-5-ISOXAZOLE ACETIC ACID-NITRIC OXIDE AND USE THEREOF AS ANTI-CANCER AND ANTIVIRAL AGENT MAPK7, CASP7, ANXA7 NPSR1 2413/4885STAT5B 161/4885ALDH1A1 1671/4885

“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.