SCHEMBL630686

SCHEMBL630686

CC(C)(C(N)=O)C(=O)N[CH]Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.40
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 2/20 0.39
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP8 P22894 3/20 0.36
CYP1A2 P05177 1/20 0.36
AKR1B1 P15121 1/20 0.36
IDO1 P14902 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5892305 0.79 MAOB (0.44) KMT2ACYP2C9CYP2C19SMN1; SMN2CYP1A2
SCHEMBL6712613 0.77 CES1 (0.47) POLBALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL10936025 0.76 RIPK1 (0.63) MAPTRIPK1KMT2AALDH1A1CYP2C9
SCHEMBL630364 0.75 RIPK1 (0.40) POLBMAPTRIPK1KMT2ARECQL
SCHEMBL1524905 0.74 ALDH1A1 (0.44) ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL5783496 0.74 MAOB (0.46) KMT2AALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5041887 0.73 CA12 (0.51) KMT2AIDO1
SCHEMBL6700723 0.72 IDO1 (0.45) IDO1NOS3NOS1NOS2
SCHEMBL8098099 0.72 RIPK1 (0.44) POLBRIPK1KMT2ACYP2C9CYP2C19
SCHEMBL7962638 0.71 ALDH1A1 (0.45) POLBRECQLALDH1A1SMN1; SMN2NPC1

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
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

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 POLB 4105/4885MAPT 192/4885RIPK1 1269/4885

“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.