SCHEMBL957533

SCHEMBL957533

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
PTPN1 P18031 1/20 0.41
RAD52 P43351 1/20 0.41
CTSK P43235 1/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL1905027 0.81 DPP4 (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL1905029 0.81 DPP4 (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3658032 0.78 NPC1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL3659195 0.78 NPC1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL15355390 0.73 KMT2A (0.43) ALDH1A1KMT2ANPC1PTPN1RAD52
SCHEMBL15355391 0.73 KMT2A (0.43) ALDH1A1KMT2ANPC1PTPN1RAD52
SCHEMBL956964 0.73 L3MBTL1 (0.39) ALDH1A1LMNAKMT2AHTTPTPN1
SCHEMBL4770340 0.70 GSK3B (0.57) ALDH1A1KMT2AHTT
SCHEMBL5169313 0.70 PTPN1 (0.55) ALDH1A1KMT2ASMN1; SMN2NPC1PTPN1
SCHEMBL3655071 0.70 KMT2A (0.39) ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
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
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 98/4885LMNA 2828/4885KMT2A 4200/4885

“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.