SCHEMBL6703672

SCHEMBL6703672

CC(C(=O)O)N1C(=O)N(C)[C@@](C)(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
AR P10275 1/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33
NR3C2 P08235 1/20 0.33
KCNH2 Q12809 1/20 0.33
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL6703666 1.00 PGR (0.38) PGRARGAAMAPTGFER
SCHEMBL6703669 1.00 PGR (0.38) PGRARGAAMAPTGFER
SCHEMBL6703359 0.81 MDM2 (0.40) ARGAAMAPTGFERNR3C2
SCHEMBL6703355 0.81 MDM2 (0.40) ARGAAMAPTGFERNR3C2
SCHEMBL6703358 0.81 MDM2 (0.40) ARGAAMAPTGFERNR3C2
Hydrochloric Acid SCHEMBL6703528 0.78 ITGB3 (0.35)
SCHEMBL6703535 0.76 MEN1 (0.52) KCNH2
SCHEMBL6703538 0.76 MEN1 (0.52) KCNH2
SCHEMBL6703540 0.76 MEN1 (0.52) KCNH2
SCHEMBL7969496 0.76 KCNH2 (0.40) PGRARMMP2MMP3KCNH2

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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 PGR 1098/4885AR 2130/4885GAA 2716/4885

“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.