SCHEMBL630443

SCHEMBL630443

CC(C)(CO)NC(=O)[CH]Cc1ccc(OC(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
THRB P10828 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.32
ADAMTS4 O75173 1/20 0.30
ACACB O00763 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL630335 0.72 HPGD (0.38) ELANEKIF11CYP3A4CYP2C9CYP2C19
SCHEMBL630339 0.71 MAPT (0.47) ALDH1A1CNR1THRBKMT2AMEN1
SCHEMBL5183142 0.69 ELANE (0.41) ELANEKIF11ALDH1A1THRBKMT2A
SCHEMBL9566622 0.69 ALDH1A1 (0.53) KIF11ALDH1A1CYP3A4CNR1CNR2
SCHEMBL631367 0.68 EPHX2 (0.34) KMT2AMEN1
SCHEMBL3139636 0.68 GABRP (0.40) THRB
SCHEMBL7365299 0.68 PARP10 (0.46) ALDH1A1MAPT
SCHEMBL13650268 0.68 MEN1 (0.48) ELANEKIF11PPARAPPARGTHRB
SCHEMBL2860635 0.68 KDM4E (0.49) ALDH1A1PPARAPPARGKMT2AMEN1
SCHEMBL1835776 0.66 RAB9A (0.53) ELANEKIF11ALDH1A1CYP2C19THRB

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 ELANE 3538/4885KIF11 2968/4885ALDH1A1 3038/4885

“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.