SCHEMBL5717835

SCHEMBL5717835

NC(=O)c1ccc(O)c(CN2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
CYP2C9 P11712 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
ACHE P22303 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 4/20 0.45
PKM P14618 1/20 0.45
HDAC1 Q13547 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.43
CHEK1 O14757 1/20 0.43
CDK7 P50613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4261604 0.89 CYP2C9 (0.55) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL4819066 0.88 CTSB (0.60) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL1421316 0.87 CTSB (0.59) CTSBCYP2C9ALOX15HSD17B10GAA
Water SCHEMBL1285922 0.86 CTSB (0.58) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL1421327 0.82 SMN1; SMN2 (0.55) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL4264923 0.82 CYP2A13 (0.62) CYP2C9ALOX15HSD17B10POLBPKM
SCHEMBL4260815 0.82 CYP2A13 (0.54) CTSBCYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL4262164 0.82 CYP2A13 (0.54) CYP2C9ALOX15HSD17B10POLBKDM4E
Hydrochloric Acid SCHEMBL27831975 0.81 SMN1; SMN2 (0.54) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL13338345 0.80 CTSB (0.54) CTSBCYP2C9ALOX15HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CTSB 559/4885CYP2C9 257/4885ALOX15 2590/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CTSB 559/4885CYP2C9 257/4885ALOX15 2590/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CTSB 517/4885CYP2C9 353/4885ALOX15 2244/4885

“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.