SCHEMBL630992

SCHEMBL630992

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.66
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 3/20 0.53
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
BCL2 P10415 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SSTR3 P32745 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 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
SCHEMBL24143407 0.91 CYP1A2 (0.67) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29095821 0.84 PPARA (0.56) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24485487 0.84 PPARA (0.56) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4982349 0.84 PTPN1 (0.49) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13919514 0.84 PTPN1 (0.52) PTPN1LMNABCL2ALDH1A1SSTR3
SCHEMBL4461929 0.84 PTPN1 (0.52) PTPN1LMNABCL2ALDH1A1SSTR3
SCHEMBL7068950 0.82 HDAC3 (0.54) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24767619 0.81 PTPRB (0.59) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26452729 0.80 ALDH1A1 (0.51) PTPN1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL844288 0.80 CYP1A2 (0.52) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9

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 5 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 disclosed
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 PTPN1 833/4885CYP1A2 3539/4885CYP3A4 3589/4885

“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.