SCHEMBL12999481

SCHEMBL12999481

CCOC(=O)CCNC(=O)c1cc(O)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ACR P10323 1/20 0.41
▸ TOP2A P11388 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL13000395 0.87 KDM4E (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL12999505 0.80 HDAC3 (0.46) ALDH1A1MAPTTP53ACRHDAC3
SCHEMBL13222147 0.76 KDM4E (0.54) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL1456726 0.75 HPGDS (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL12999930 0.74 GPR84 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL24080898 0.73 CREBBP (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL12999523 0.73 SMN1; SMN2 (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL8532598 0.73 POLB (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL12999423 0.73 SMN1; SMN2 (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL3425306 0.73 CYP1A2 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2

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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ALDH1A1 852/4885HPGD 1610/4885KDM4E 2452/4885

“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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