SCHEMBL631096

SCHEMBL631096

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.48
ACACB O00763 4/20 0.47
LTA4H P09960 2/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
CIT O14578 1/20 0.46

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
SCHEMBL630246 0.85 HDAC8 (0.55) MAPTTSHRHDAC8MEN1KMT2A
SCHEMBL631407 0.81 SMN1; SMN2 (0.45) MAPTHDAC8KMT2AALDH1A1ACACB
SCHEMBL11129427 0.78 MAPT (0.61) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL21117254 0.78 CSK (0.57) HDAC8MEN1KMT2ALMNACYP1A2
SCHEMBL26488 0.76 MAPT (0.65) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL6287602 0.75 LTA4H (0.69) HDAC8LTA4H
SCHEMBL631176 0.75 ALDH1A1 (0.53) MAPTTSHRLMNATDP1ALDH1A1
SCHEMBL14355744 0.74 ACACB (0.54) MEN1KMT2ALMNACYP1A2TDP1
SCHEMBL18119719 0.74 MAPT (0.67) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL6865304 0.74 ACACB (0.54) MEN1KMT2ALMNACYP1A2TDP1

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 9 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
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO 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 MAPT 192/4885TSHR 3361/4885HDAC8 2224/4885

“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.