SCHEMBL957547

SCHEMBL957547

CC[C@@H](c1ccc(Br)cc1)N(CCC(=O)c1ccccc1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CTNNB1 P35222 3/20 0.36
WNT3A P56704 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TP53 P04637 1/20 0.34
KAT6A Q92794 2/20 0.34
LMNA P02545 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL957442 0.76 LMNA (0.38) PTPN1ERCC5FEN1KMT2AMEN1
SCHEMBL957441 0.76 LMNA (0.38) PTPN1ERCC5FEN1KMT2AMEN1
SCHEMBL957774 0.72 GAA (0.31) ALDH1A1OPRM1OPRD1TRPM8
SCHEMBL116412 0.71 OPRM1 (0.33) KMT2AMEN1OPRM1OPRD1LMNA
SCHEMBL120003 0.70 LMNA (0.44) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL120004 0.70 LMNA (0.44) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL30200290 0.68 CTNNB1 (0.51) PTPN1ERCC5FEN1KMT2AMEN1
SCHEMBL955792 0.68 CTNNB1 (0.51) PTPN1ERCC5FEN1KMT2AMEN1
SCHEMBL1859092 0.67 TRPM8 (0.41) KMT2AMEN1ALDH1A1OPRM1OPRD1
SCHEMBL3121320 0.66 ALDH1A1 (0.57) PTPN1ERCC5FEN1KMT2ACTNNB1

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-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 PTPN1 2206/4885ERCC5 3675/4885FEN1 1150/4885

“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.