SCHEMBL630246

SCHEMBL630246

CCOc1ccc(NC(=O)[C@@H](N)Cc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 7/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
CIT O14578 1/20 0.48
CACNA1B Q00975 1/20 0.47

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
SCHEMBL631096 0.85 MAPT (0.53) HDAC8KMT2AMEN1CYP1A2TDP1
SCHEMBL5172941 0.80 ALDH1A1 (0.56) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL21117254 0.80 CSK (0.57) HDAC8KMT2AMEN1CYP1A2TDP1
SCHEMBL4105152 0.80 MAPT (0.77) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL11129427 0.78 MAPT (0.61) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL6865304 0.76 ACACB (0.54) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL10994870 0.76 LMNA (0.62) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL14355744 0.76 ACACB (0.54) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL166144 0.76 L3MBTL1 (0.70) KMT2AMEN1CYP1A2TDP1LMNA
SCHEMBL22604653 0.76 ACACB (0.53) KMT2AMEN1CYP1A2TDP1LMNA

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 HDAC8 2224/4885KMT2A 4807/4885MEN1 4809/4885

“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.