SCHEMBL19002495

SCHEMBL19002495

CCN(C)CC(=O)NC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
MAOA P21397 1/20 0.40
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19049412 0.85 EPHX2 (0.43) EPHX2MAOAGAASMN1; SMN2MAPT
SCHEMBL19002619 0.85 EPHX2 (0.46) EPHX2MAOAGAASMN1; SMN2MAPT
SCHEMBL10132083 0.83 MAOA (0.47) MAOAGAASMN1; SMN2MAPTNPSR1
SCHEMBL19002489 0.82 EPHX2 (0.43) EPHX2MAOAGAASMN1; SMN2MAPT
SCHEMBL20665149 0.82 EPHX2 (0.43) EPHX2MAOAGAASMN1; SMN2MAPT
SCHEMBL23222183 0.81 EPHX2 (0.42) EPHX2MAOAGAASMN1; SMN2NPSR1
SCHEMBL19002620 0.81 EPHX2 (0.42) EPHX2MAOAGAASMN1; SMN2MAPT
Oxalic Acid SCHEMBL9795222 0.79 EPHX2 (0.47) EPHX2MAOAGAASMN1; SMN2MAPT
Oxalic Acid SCHEMBL9795219 0.79 EPHX2 (0.47) EPHX2MAOAGAASMN1; SMN2MAPT
SCHEMBL17335561 0.77 EPHX2 (0.58) EPHX2SMN1; SMN2MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 EPHX2 2625/4885MAOA 4408/4885GAA 2713/4885

“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.