SCHEMBL630245

SCHEMBL630245

CC(=O)c1ccc(C[CH]C(=O)Nc2ccc(OCC(N)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MAPT P10636 7/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
MAOB P27338 4/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL13065104 0.79 L3MBTL1 (0.63) RAB9AMAPTALDH1A1POLBMAOB
SCHEMBL5172935 0.79 ALDH1A1 (0.53) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL12678535 0.74 MEN1 (0.67) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL631095 0.72 ALDH1A1 (0.51) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL630339 0.70 MAPT (0.47) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL9772797 0.70 PTGS2 (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL16681966 0.68 MAPT (0.52) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL3144601 0.68 GABRP (0.39) MAPTTP53KMT2APOLBSMN1; SMN2
SCHEMBL10506137 0.67 MEN1 (0.58) RAB9AMAPTTP53ALDH1A1MEN1
SCHEMBL9517796 0.67 POLB (0.54) RAB9AMAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 RAB9A 1603/4885MAPT 192/4885TP53 1809/4885

“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.