SCHEMBL1487052

SCHEMBL1487052

CC(C)(C)C[C@H](O)COC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 4/20 0.34
TSHR P16473 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33

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
SCHEMBL1487054 1.00 LMNA (0.44) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL22980099 1.00 LMNA (0.44) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL28573463 0.81 ALDH1A1 (0.40) LMNASMN1; SMN2HSD17B10ADRB2ADRB1
SCHEMBL28346368 0.80 CHRNB2 (0.47) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL29849998 0.79 CYP1A2 (0.55) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL3828368 0.79 ALOX15 (0.39) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL3828375 0.79 ALOX15 (0.39) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL16244419 0.79 ALOX15 (0.39) LMNACYP1A2SMN1; SMN2KDM4EALOX15
SCHEMBL24229259 0.76 PRKCA (0.34) ADRB2ADRB1ADRB3HTT
SCHEMBL3161147 0.76 ALOX15 (0.37) LMNACYP1A2SMN1; SMN2KDM4EALOX15

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
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 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-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 LMNA 4718/4885CYP1A2 4293/4885SMN1; SMN2 1904/4885

“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.