SCHEMBL390316

SCHEMBL390316

O=C(O)CNC(=O)OCOC(=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.57
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP1 P29466 1/20 0.48
AKR1B1 P15121 1/20 0.46
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KLK6 Q92876 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL18848272 0.83 ALDH1A1 (0.53) PAMALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL126974 0.80 HTT (0.66) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11783251 0.80 HTT (0.66) ALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8688569 0.78 HTT (0.64) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL18848230 0.77 ALDH1A1 (0.46) PAMALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL392909 0.76 KLK7 (0.48) ALDH1A1L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL18848372 0.76 ALDH1A1 (0.45) PAMALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL27418764 0.75 ALDH1A1 (0.77) PAMALDH1A1MAPK1L3MBTL1AKR1B1
Glycine SCHEMBL8366779 0.74 HTT (0.59) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL30440860 0.74 ALDH1A1 (0.60) ALDH1A1MAPK1HTTLMNASMN1; SMN2

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-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 PAM 581/4885ALDH1A1 1826/4885MAPK1 1988/4885

“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.