SCHEMBL344610

SCHEMBL344610

C[C@@](CC(F)(F)Cc1ccccc1)(N=C=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
MMP8 P22894 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHRM1 P11229 3/20 0.34
RECQL P46063 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
RIPK1 Q13546 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 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
SCHEMBL135997 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL669497 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL347445 0.74
SCHEMBL27979550 0.74 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AMMP8PPARGPPARA
Bromide SCHEMBL1200372 0.73 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL503691 0.71 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL11785888 0.71 SLC6A2 (0.52) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL8014762 0.71 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL18107094 0.71 SLC6A2 (0.47) SMN1; SMN2HIF1AMMP8PPARGPPARA
SCHEMBL8725722 0.70 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AMMP8PPARGPPARA

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-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP SMN1; SMN2 3535/4885HIF1A 1283/4885MMP8 60/4885

“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.