SCHEMBL13444441

SCHEMBL13444441

NCCCCCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SLC6A5 Q9Y345 2/20 0.45
▸ PAOX Q6QHF9 2/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TET2 Q6N021 1/20 0.37
▸ DOHH Q9BU89 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL18827228 0.97 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTSLC6A5PAOX
SCHEMBL27249964 0.96 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTSLC6A5ALDH1A1
SCHEMBL17168743 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL20999873 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL26382038 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL17767809 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL17767812 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL21117960 0.92 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1HDAC3
SCHEMBL13405586 0.91 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTSLC6A5ALDH1A1
SCHEMBL14103627 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTSLC6A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696185-B2 N-{[(2S)-2-carboxy-2-({4-[({3-[(2-{[3-carboxy-4-(6-hydroxy-3-oxo-9,9a-dihydro-3H-xanthen-9-yl)phenyl]amino}-2-oxoethyl)thio]-propanoyl}amino)methyl]benzoyl}amino)ethoxy](hydroxy)phosphoryl}-L-glutamic acid; inhibitors of prostate-specific membrane antigen (PMSA); prostate cancer Cancer Targered Technology LLC (US) 2010-04-13 — — US disclosed
US-20070219165-A1 Peptidomimetic Inhibitors Of PSMA, Compounds Comprising Them, And Methods of Use CANCER TARGETED TECHNOLOGY LLC (US) 2007-09-20 — — 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-20070219165-A1 Peptidomimetic Inhibitors Of PSMA, Compounds Comprising Them, And Methods of Use FOLH1, PSMA1, DNPEP SMN1; SMN2 4059/4885HPGD 2725/4885HTT 4717/4885

“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.

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