SCHEMBL1404404

SCHEMBL1404404

NC(=O)c1nonc1OO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
TBXA2R P21731 1/20 0.32
PKM P14618 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PDPK1 O15530 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
SCHEMBL30281102 0.83 CA1 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL9635656 0.80 KMT2A (0.39) KMT2ACA12CA1CA2CA9
SCHEMBL8786752 0.79 CA12 (0.39) KMT2ACA12CA1CA2CA9
SCHEMBL30281403 0.79 CA12 (0.49) KMT2ACA12CA1CA2CA9
SCHEMBL23990414 0.78 ALDH1A1 (0.33) KMT2ACA12CA1CA2CA9
SCHEMBL23989449 0.78 PARP10 (0.35) KMT2ACA12CA1CA2CA9
SCHEMBL30281212 0.75 KMT2A (0.38) KMT2ACA12CA1CA2CA9
SCHEMBL23990406 0.74 CA12 (0.36) KMT2ACA12CA1CA2CA9
SCHEMBL23989451 0.74 CA12 (0.36) KMT2ACA12CA1CA2CA9
SCHEMBL30999032 0.74 ALDH1A1 (0.31) KMT2ACA12CA1CA2CA9

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 5 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
EP-2144904-B1 (S,R)-3-PHENYL-4,5 DIHYDRO-5-ISOXAZOLE ACETIC ACID-NITRIC OXIDE AND USE THEREOF AS ANTI-CANCER AND ANTIVIRAL AGENT GANIAL IMMUNOTHERAPEUTICS INC (US) 2011-03-09 EP 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
EP-2144904-A1 (S,R)-3-PHENYL-4,5 DIHYDRO-5-ISOXAZOLE ACETIC ACID-NITRIC OXIDE AND USE THEREOF AS ANTI-CANCER AND ANTIVIRAL AGENT Ganial Immunotherapeutics Inc. (US) 2010-01-20 EP disclosed
WO-2008138516-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) 2008-11-20 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 (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 KMT2A 4556/4885CA12 2627/4885CA1 1254/4885

“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.