SCHEMBL3512382

SCHEMBL3512382

C[C@H](Nc1ccc(F)c2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 1/20 0.44
IDO1 P14902 4/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR2 O60603 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3512380 1.00 LMNA (0.48) LMNASMN1; SMN2KEAP1NFE2L2IDO1
SCHEMBL30004306 0.81 KEAP1 (0.44) LMNASMN1; SMN2KEAP1NFE2L2IDO1
SCHEMBL714234 0.80 SMN1; SMN2 (0.66) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL714235 0.80 SMN1; SMN2 (0.66) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29665643 0.80 SMN1; SMN2 (0.66) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2331584 0.78 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1
SCHEMBL2331329 0.78 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1
SCHEMBL2331330 0.78 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1
SCHEMBL298855 0.77 CA12 (0.54) LMNASMN1; SMN2KEAP1ALDH1A1MEN1
SCHEMBL42287 0.77 CA12 (0.54) LMNASMN1; SMN2KEAP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197899-B1 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA- BETA3-AMINOACYL RESIDUE AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2014-09-03 EP claimed
US-8603968-B2 Cyclic peptides comprising at least one aza-β3-aminoacyl residue and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-10 US claimed
US-20100305027-A1 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA-B3-AMINOACYL RESIDUE AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-02 US claimed
EP-2197899-A2 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA- BETA3-AMINOACYL RESIDUE AND USES THEREOF Centre National de la Recherche Scientifique (FR) 2010-06-23 EP claimed
WO-2009083663-A2 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA-Β3-AMINOACYL RESIDUE AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-07-09 WO claimed
EP-2197899-B1 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA- BETA3-AMINOACYL RESIDUE AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2014-09-03 EP disclosed
US-8603968-B2 Cyclic peptides comprising at least one aza-β3-aminoacyl residue and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-10 US disclosed
US-20100305027-A1 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA-B3-AMINOACYL RESIDUE AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-02 US disclosed
EP-2197899-A2 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA- BETA3-AMINOACYL RESIDUE AND USES THEREOF Centre National de la Recherche Scientifique (FR) 2010-06-23 EP disclosed
WO-2009083663-A2 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA-Β3-AMINOACYL RESIDUE AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-07-09 WO 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-20100305027-A1 CYCLIC PEPTIDES COMPRISING AT LEAST ONE AZA-B3-AMINOACYL RESIDUE AND THEIR USES NPR3, VIP, ANPEP LMNA 3734/4885SMN1; SMN2 4302/4885KEAP1 4841/4885

“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.