SCHEMBL5421925

SCHEMBL5421925

O=C(O)C(CCCc1ccccc1)[C@H](F)C(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.51
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
FAAH O00519 1/20 0.43
MLYCD O95822 1/20 0.42
CTSS P25774 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSL P07711 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5955857 1.00 FKBP1A (0.51) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5421917 1.00 FKBP1A (0.51) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5955854 1.00 FKBP1A (0.51) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5420082 0.88 FKBP1A (0.53) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5420072 0.88 FKBP1A (0.53) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL6279409 0.88 FKBP1A (0.53) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5418489 0.88 FKBP1A (0.46) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5418488 0.88 FKBP1A (0.46) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5954946 0.88 FKBP1A (0.46) FKBP1AMMP8ALDH1A1TSHRPOLB
SCHEMBL5954943 0.88 FKBP1A (0.46) FKBP1AMMP8ALDH1A1TSHRPOLB

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
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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 (3 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FKBP1A 2478/4885MMP8 42/4885ALDH1A1 3814/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FKBP1A 2516/4885MMP8 43/4885ALDH1A1 4046/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FKBP1A 2478/4885MMP8 42/4885ALDH1A1 3814/4885

“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.