SCHEMBL6405913

SCHEMBL6405913

CC(C)(C)OC(=O)C1CCCN1C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.46
ACE P12821 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR2 P30518 1/20 0.44
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.41
KLK5 Q9Y337 1/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10482437 0.80 HSD17B10 (0.43) FKBP1ASMN1; SMN2AVPR2HSD17B10POLB
SCHEMBL10482440 0.80 HSD17B10 (0.43) FKBP1ASMN1; SMN2AVPR2HSD17B10POLB
SCHEMBL6407009 0.79 ACE (0.60) ACEHSD17B10CYP2C19LMNAKMT2A
SCHEMBL11932167 0.79 HSD17B10 (0.50) FKBP1ASMN1; SMN2HSD17B10POLBKLK5
SCHEMBL750515 0.79 HSD17B10 (0.50) FKBP1ASMN1; SMN2HSD17B10POLBKLK5
SCHEMBL3591879 0.78 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10POLBLMNAALDH1A1
SCHEMBL4473488 0.78 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10POLBLMNAALDH1A1
SCHEMBL11032344 0.78 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10POLBLMNAALDH1A1
SCHEMBL7286305 0.76 HSD17B10 (0.61) SMN1; SMN2HSD17B10POLBLMNAALDH1A1
SCHEMBL7886209 0.76 HSD17B10 (0.47) FKBP1ASMN1; SMN2HSD17B10POLBKLK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852752-B2 Urea compounds, compositions and methods of use and preparation VICURON PHARMACEUTICALS INC. (US) 2005-02-08 US disclosed
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-29 US disclosed
WO-2001044178-A1 NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation PDF, UROD, HDHD5 FKBP1A 3159/4885ACE 1344/4885SMN1; SMN2 4005/4885

“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.